NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
10663 |
1q38   |
cing | 1-original | 7 | XPLOR/CNS | peak |
REMARK using 0.150E+00 seconds mixing time
REMARK vweak < 4.2 , upper limit 6.0
REMARK weak < 3.6 , upper limit 5.0
REMARK medium < 3.0 , upper limit 3.6
REMARK strong < 2.5 , upper limit 2.7
REMARK dnoe: 2.647998 position 8.379026 4.369029
ASSI { 1 }
( attr rmsd >= 4.329029 and attr rmsd <= 4.409029 )
(( attr rmsd >= 8.339026 and attr rmsd <= 8.419026 )
and bondedto ( attr rmsd >= 121.2454 and attr rmsd <= 122.0454 ))
3.0 3.0 0.5999999
peak 1 ppm1 4.369029 ppm2 8.379026 volume 47800000 weight 1.0
REMARK dnoe: 3.367513 position 8.380761 2.284851
ASSI { 2 }
( attr rmsd >= 2.244851 and attr rmsd <= 2.324851 )
(( attr rmsd >= 8.340761 and attr rmsd <= 8.420761 )
and bondedto ( attr rmsd >= 121.1763 and attr rmsd <= 121.9763 ))
3.6 3.6 1.4
peak 2 ppm1 2.284851 ppm2 8.380761 volume 11300000 weight 1.0
REMARK dnoe: 3.419921 position 8.382496 2.047096
ASSI { 3 }
( attr rmsd >= 2.007096 and attr rmsd <= 2.087096 )
(( attr rmsd >= 8.342496 and attr rmsd <= 8.422496 )
and bondedto ( attr rmsd >= 121.2439 and attr rmsd <= 122.0439 ))
3.6 3.6 1.4
peak 3 ppm1 2.047096 ppm2 8.382496 volume 10300000 weight 1.0
REMARK dnoe: 2.96002 position 8.380761 1.816774
ASSI { 4 }
( attr rmsd >= 1.776774 and attr rmsd <= 1.856774 )
(( attr rmsd >= 8.340761 and attr rmsd <= 8.420761 )
and bondedto ( attr rmsd >= 121.2067 and attr rmsd <= 122.0067 ))
3.0 3.0 0.5999999
peak 4 ppm1 1.816774 ppm2 8.380761 volume 24500000 weight 1.0
REMARK dnoe: 3.463892 position 7.964791 4.001085
ASSI { 5 }
( attr rmsd >= 3.961085 and attr rmsd <= 4.041085 )
(( attr rmsd >= 7.924791 and attr rmsd <= 8.004791 )
and bondedto ( attr rmsd >= 122.4423 and attr rmsd <= 123.2423 ))
3.6 3.6 1.4
peak 5 ppm1 4.001085 ppm2 7.964791 volume 9540000 weight 1.0
REMARK dnoe: 3.26512 position 7.967405 3.022356
ASSI { 6 }
( attr rmsd >= 2.982356 and attr rmsd <= 3.062356 )
(( attr rmsd >= 7.927405 and attr rmsd <= 8.007405 )
and bondedto ( attr rmsd >= 122.4623 and attr rmsd <= 123.2623 ))
3.6 3.6 1.4
peak 6 ppm1 3.022356 ppm2 7.967405 volume 13600001 weight 1.0
REMARK dnoe: 2.927108 position 7.967405 1.644876
ASSI { 7 }
( attr rmsd >= 1.604876 and attr rmsd <= 1.684876 )
(( attr rmsd >= 7.927405 and attr rmsd <= 8.007405 )
and bondedto ( attr rmsd >= 122.4822 and attr rmsd <= 123.2822 ))
3.0 3.0 0.5999999
peak 7 ppm1 1.644876 ppm2 7.967405 volume 26200000 weight 1.0
REMARK dnoe: 3.302593 position 7.970018 1.296884
ASSI { 8 }
( attr rmsd >= 1.256884 and attr rmsd <= 1.336884 )
(( attr rmsd >= 7.930018 and attr rmsd <= 8.010018 )
and bondedto ( attr rmsd >= 122.4623 and attr rmsd <= 123.2623 ))
3.6 3.6 1.4
peak 8 ppm1 1.296884 ppm2 7.970018 volume 12700000 weight 1.0
REMARK dnoe: 3.382649 position 7.970018 0.9851382
ASSI { 9 }
( attr rmsd >= 0.9451382 and attr rmsd <= 1.025138 )
(( attr rmsd >= 7.930018 and attr rmsd <= 8.010018 )
and bondedto ( attr rmsd >= 122.4822 and attr rmsd <= 123.2822 ))
3.6 3.6 1.4
peak 9 ppm1 0.9851382 ppm2 7.970018 volume 11000000 weight 1.0
REMARK dnoe: 3.567035 position 7.970018 0.6661468
ASSI { 10 }
( attr rmsd >= 0.6261468 and attr rmsd <= 0.7061468 )
(( attr rmsd >= 7.930018 and attr rmsd <= 8.010018 )
and bondedto ( attr rmsd >= 122.582 and attr rmsd <= 123.382 ))
3.6 3.6 1.4
peak 10 ppm1 0.6661468 ppm2 7.970018 volume 8000000 weight 1.0
REMARK dnoe: 3.598449 position 7.964791 0.3544006
ASSI { 11 }
( attr rmsd >= 0.3144006 and attr rmsd <= 0.3944006 )
(( attr rmsd >= 7.924791 and attr rmsd <= 8.004791 )
and bondedto ( attr rmsd >= 122.4623 and attr rmsd <= 123.2623 ))
3.6 3.6 1.4
peak 11 ppm1 0.3544006 ppm2 7.964791 volume 7590000 weight 1.0
REMARK dnoe: 3.223068 position 8.554347 7.718151
ASSI { 12 }
( attr rmsd >= 7.678151 and attr rmsd <= 7.758151 )
(( attr rmsd >= 8.514347 and attr rmsd <= 8.594347 )
and bondedto ( attr rmsd >= 121.5236 and attr rmsd <= 122.3236 ))
3.6 3.6 1.4
peak 12 ppm1 7.718151 ppm2 8.554347 volume 14700000 weight 1.0
REMARK dnoe: 3.184536 position 8.554358 4.328211
ASSI { 13 }
( attr rmsd >= 4.288211 and attr rmsd <= 4.368211 )
(( attr rmsd >= 8.514358 and attr rmsd <= 8.594357 )
and bondedto ( attr rmsd >= 121.4929 and attr rmsd <= 122.2929 ))
3.6 3.6 1.4
peak 13 ppm1 4.328211 ppm2 8.554358 volume 15800001 weight 1.0
REMARK dnoe: 2.834117 position 8.552073 3.991261
ASSI { 14 }
( attr rmsd >= 3.951261 and attr rmsd <= 4.031261 )
(( attr rmsd >= 8.512073 and attr rmsd <= 8.592072 )
and bondedto ( attr rmsd >= 121.4452 and attr rmsd <= 122.2452 ))
3.0 3.0 0.5999999
peak 14 ppm1 3.991261 ppm2 8.552073 volume 31799998 weight 1.0
REMARK dnoe: 3.133748 position 8.549799 3.618371
ASSI { 15 }
( attr rmsd >= 3.578371 and attr rmsd <= 3.658371 )
(( attr rmsd >= 8.509799 and attr rmsd <= 8.589799 )
and bondedto ( attr rmsd >= 121.4519 and attr rmsd <= 122.2519 ))
3.6 3.6 1.4
peak 15 ppm1 3.618371 ppm2 8.549799 volume 17400000 weight 1.0
REMARK dnoe: 3.245531 position 8.554358 1.691016
ASSI { 16 }
( attr rmsd >= 1.651016 and attr rmsd <= 1.731016 )
(( attr rmsd >= 8.514358 and attr rmsd <= 8.594357 )
and bondedto ( attr rmsd >= 121.4413 and attr rmsd <= 122.2413 ))
3.6 3.6 1.4
peak 16 ppm1 1.691016 ppm2 8.554358 volume 14100000 weight 1.0
REMARK dnoe: 3.198175 position 8.556633 0.338716
ASSI { 17 }
( attr rmsd >= 0.298716 and attr rmsd <= 0.378716 )
(( attr rmsd >= 8.516633 and attr rmsd <= 8.596633 )
and bondedto ( attr rmsd >= 121.5085 and attr rmsd <= 122.3085 ))
3.6 3.6 1.4
peak 17 ppm1 0.338716 ppm2 8.556633 volume 15400000 weight 1.0
REMARK dnoe: 3.467536 position 8.549799 0.6936479
ASSI { 18 }
( attr rmsd >= 0.6536479 and attr rmsd <= 0.7336479 )
(( attr rmsd >= 8.509799 and attr rmsd <= 8.589799 )
and bondedto ( attr rmsd >= 121.5802 and attr rmsd <= 122.3802 ))
3.6 3.6 1.4
peak 18 ppm1 0.6936479 ppm2 8.549799 volume 9480000 weight 1.0
REMARK dnoe: 2.993526 position 7.697121 8.590769
ASSI { 19 }
( attr rmsd >= 8.550769 and attr rmsd <= 8.630769 )
(( attr rmsd >= 7.657121 and attr rmsd <= 7.737121 )
and bondedto ( attr rmsd >= 119.3664 and attr rmsd <= 120.1664 ))
3.0 3.0 0.5999999
peak 19 ppm1 8.590769 ppm2 7.697121 volume 22900000 weight 1.0
REMARK dnoe: 2.58523 position 7.700942 4.356697
ASSI { 20 }
( attr rmsd >= 4.316697 and attr rmsd <= 4.396697 )
(( attr rmsd >= 7.660942 and attr rmsd <= 7.740942 )
and bondedto ( attr rmsd >= 119.3442 and attr rmsd <= 120.1442 ))
3.0 3.0 0.5999999
peak 20 ppm1 4.356697 ppm2 7.700942 volume 55200000 weight 1.0
REMARK dnoe: 3.531868 position 7.698598 3.962003
ASSI { 21 }
( attr rmsd >= 3.922003 and attr rmsd <= 4.002003 )
(( attr rmsd >= 7.658598 and attr rmsd <= 7.738598 )
and bondedto ( attr rmsd >= 119.3407 and attr rmsd <= 120.1407 ))
3.6 3.6 1.4
peak 21 ppm1 3.962003 ppm2 7.698598 volume 8490000 weight 1.0
REMARK dnoe: 3.006802 position 7.707976 3.613729
ASSI { 22 }
( attr rmsd >= 3.573729 and attr rmsd <= 3.653729 )
(( attr rmsd >= 7.667976 and attr rmsd <= 7.747976 )
and bondedto ( attr rmsd >= 119.3858 and attr rmsd <= 120.1858 ))
3.6 3.6 1.4
peak 22 ppm1 3.613729 ppm2 7.707976 volume 22300000 weight 1.0
REMARK dnoe: 2.874696 position 7.705631 1.724964
ASSI { 23 }
( attr rmsd >= 1.684964 and attr rmsd <= 1.764964 )
(( attr rmsd >= 7.665631 and attr rmsd <= 7.745631 )
and bondedto ( attr rmsd >= 119.4065 and attr rmsd <= 120.2065 ))
3.0 3.0 0.5999999
peak 23 ppm1 1.724964 ppm2 7.705631 volume 29200000 weight 1.0
REMARK dnoe: 2.993526 position 7.703287 1.544275
ASSI { 24 }
( attr rmsd >= 1.504275 and attr rmsd <= 1.584275 )
(( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 )
and bondedto ( attr rmsd >= 119.3067 and attr rmsd <= 120.1067 ))
3.0 3.0 0.5999999
peak 24 ppm1 1.544275 ppm2 7.703287 volume 22900000 weight 1.0
REMARK dnoe: 2.841613 position 7.703287 1.125104
ASSI { 25 }
( attr rmsd >= 1.085104 and attr rmsd <= 1.165104 )
(( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 )
and bondedto ( attr rmsd >= 119.4065 and attr rmsd <= 120.2065 ))
3.0 3.0 0.5999999
peak 25 ppm1 1.125104 ppm2 7.703287 volume 31300000 weight 1.0
REMARK dnoe: 3.15213 position 7.703287 0.6986885
ASSI { 26 }
( attr rmsd >= 0.6586885 and attr rmsd <= 0.7386885 )
(( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 )
and bondedto ( attr rmsd >= 119.3866 and attr rmsd <= 120.1866 ))
3.6 3.6 1.4
peak 26 ppm1 0.6986885 ppm2 7.703287 volume 16800000 weight 1.0
REMARK dnoe: 3.032259 position 7.703287 0.3352928
ASSI { 27 }
( attr rmsd >= 0.2952928 and attr rmsd <= 0.3752928 )
(( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 )
and bondedto ( attr rmsd >= 119.3209 and attr rmsd <= 120.1209 ))
3.6 3.6 1.4
peak 27 ppm1 0.3352928 ppm2 7.703287 volume 21200000 weight 1.0
REMARK dnoe: 3.110358 position 8.615034 6.85484
ASSI { 28 }
( attr rmsd >= 6.81484 and attr rmsd <= 6.89484 )
(( attr rmsd >= 8.575034 and attr rmsd <= 8.655034 )
and bondedto ( attr rmsd >= 117.8359 and attr rmsd <= 118.6359 ))
3.6 3.6 1.4
peak 28 ppm1 6.85484 ppm2 8.615034 volume 18200000 weight 1.0
REMARK dnoe: 3.208678 position 8.607906 9.003094
ASSI { 29 }
( attr rmsd >= 8.963094 and attr rmsd <= 9.043094 )
(( attr rmsd >= 8.567906 and attr rmsd <= 8.647906 )
and bondedto ( attr rmsd >= 117.8685 and attr rmsd <= 118.6685 ))
3.6 3.6 1.4
peak 29 ppm1 9.003094 ppm2 8.607906 volume 15099999 weight 1.0
REMARK dnoe: 3.479881 position 8.615046 5.501556
ASSI { 31 }
( attr rmsd >= 5.461556 and attr rmsd <= 5.541556 )
(( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 )
and bondedto ( attr rmsd >= 117.8896 and attr rmsd <= 118.6896 ))
3.6 3.6 1.4
peak 31 ppm1 5.501556 ppm2 8.615046 volume 9280000 weight 1.0
REMARK dnoe: 2.55026 position 8.615046 4.425977
ASSI { 32 }
( attr rmsd >= 4.385977 and attr rmsd <= 4.465977 )
(( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 )
and bondedto ( attr rmsd >= 117.855 and attr rmsd <= 118.655 ))
3.0 3.0 0.5999999
peak 32 ppm1 4.425977 ppm2 8.615046 volume 59899996 weight 1.0
REMARK dnoe: 2.861775 position 8.612584 2.6659
ASSI { 33 }
( attr rmsd >= 2.6259 and attr rmsd <= 2.7059 )
(( attr rmsd >= 8.572584 and attr rmsd <= 8.652584 )
and bondedto ( attr rmsd >= 117.8361 and attr rmsd <= 118.6361 ))
3.0 3.0 0.5999999
peak 33 ppm1 2.6659 ppm2 8.612584 volume 30000002 weight 1.0
REMARK dnoe: 2.762231 position 8.615046 1.686562
ASSI { 34 }
( attr rmsd >= 1.646562 and attr rmsd <= 1.726562 )
(( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 )
and bondedto ( attr rmsd >= 117.8685 and attr rmsd <= 118.6685 ))
3.0 3.0 0.5999999
peak 34 ppm1 1.686562 ppm2 8.615046 volume 37100000 weight 1.0
REMARK dnoe: 2.763474 position 8.612584 1.58535
ASSI { 35 }
( attr rmsd >= 1.54535 and attr rmsd <= 1.62535 )
(( attr rmsd >= 8.572584 and attr rmsd <= 8.652584 )
and bondedto ( attr rmsd >= 117.8685 and attr rmsd <= 118.6685 ))
3.0 3.0 0.5999999
peak 35 ppm1 1.58535 ppm2 8.612584 volume 37000000 weight 1.0
REMARK dnoe: 3.059306 position 8.615046 1.072071
ASSI { 36 }
( attr rmsd >= 1.032071 and attr rmsd <= 1.112071 )
(( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 )
and bondedto ( attr rmsd >= 117.8218 and attr rmsd <= 118.6218 ))
3.6 3.6 1.4
peak 36 ppm1 1.072071 ppm2 8.615046 volume 20100000 weight 1.0
REMARK dnoe: 3.32934 position 8.617519 0.6956177
ASSI { 37 }
( attr rmsd >= 0.6556177 and attr rmsd <= 0.7356177 )
(( attr rmsd >= 8.577519 and attr rmsd <= 8.657519 )
and bondedto ( attr rmsd >= 117.8504 and attr rmsd <= 118.6504 ))
3.6 3.6 1.4
peak 37 ppm1 0.6956177 ppm2 8.617519 volume 12100000 weight 1.0
REMARK dnoe: 3.523615 position 8.61011 0.2841597
ASSI { 38 }
( attr rmsd >= 0.2441597 and attr rmsd <= 0.3241597 )
(( attr rmsd >= 8.57011 and attr rmsd <= 8.65011 )
and bondedto ( attr rmsd >= 117.8088 and attr rmsd <= 118.6088 ))
3.6 3.6 1.4
peak 38 ppm1 0.2841597 ppm2 8.61011 volume 8610000 weight 1.0
REMARK dnoe: 3.548788 position 8.613944 3.681719
ASSI { 39 }
( attr rmsd >= 3.641719 and attr rmsd <= 3.721719 )
(( attr rmsd >= 8.573944 and attr rmsd <= 8.653944 )
and bondedto ( attr rmsd >= 117.8486 and attr rmsd <= 118.6486 ))
3.6 3.6 1.4
peak 39 ppm1 3.681719 ppm2 8.613944 volume 8250000 weight 1.0
REMARK dnoe: 3.223068 position 9.223698 9.881643
ASSI { 40 }
( attr rmsd >= 9.841643 and attr rmsd <= 9.921643 )
(( attr rmsd >= 9.183698 and attr rmsd <= 9.263698 )
and bondedto ( attr rmsd >= 121.2237 and attr rmsd <= 122.0237 ))
3.6 3.6 1.4
peak 40 ppm1 9.881643 ppm2 9.223698 volume 14700000 weight 1.0
REMARK dnoe: 3.436811 position 9.211531 6.855567
ASSI { 41 }
( attr rmsd >= 6.815567 and attr rmsd <= 6.895567 )
(( attr rmsd >= 9.171531 and attr rmsd <= 9.251531 )
and bondedto ( attr rmsd >= 121.2284 and attr rmsd <= 122.0284 ))
3.6 3.6 1.4
peak 41 ppm1 6.855567 ppm2 9.211531 volume 10000000 weight 1.0
REMARK dnoe: 2.548844 position 9.211366 5.493655
ASSI { 42 }
( attr rmsd >= 5.453655 and attr rmsd <= 5.533655 )
(( attr rmsd >= 9.171366 and attr rmsd <= 9.251366 )
and bondedto ( attr rmsd >= 121.2374 and attr rmsd <= 122.0374 ))
3.0 3.0 0.5999999
peak 42 ppm1 5.493655 ppm2 9.211366 volume 60100000 weight 1.0
REMARK dnoe: 2.843129 position 9.210732 4.749468
ASSI { 43 }
( attr rmsd >= 4.709468 and attr rmsd <= 4.789468 )
(( attr rmsd >= 9.170732 and attr rmsd <= 9.250732 )
and bondedto ( attr rmsd >= 121.2497 and attr rmsd <= 122.0497 ))
3.0 3.0 0.5999999
peak 43 ppm1 4.749468 ppm2 9.210732 volume 31200000 weight 1.0
REMARK dnoe: 2.97021 position 9.213406 2.679287
ASSI { 44 }
( attr rmsd >= 2.639287 and attr rmsd <= 2.719287 )
(( attr rmsd >= 9.173406 and attr rmsd <= 9.253406 )
and bondedto ( attr rmsd >= 121.2345 and attr rmsd <= 122.0345 ))
3.0 3.0 0.5999999
peak 44 ppm1 2.679287 ppm2 9.213406 volume 24000000 weight 1.0
REMARK dnoe: 2.978541 position 9.213406 1.910999
ASSI { 45 }
( attr rmsd >= 1.870999 and attr rmsd <= 1.950999 )
(( attr rmsd >= 9.173406 and attr rmsd <= 9.253406 )
and bondedto ( attr rmsd >= 121.2413 and attr rmsd <= 122.0413 ))
3.0 3.0 0.5999999
peak 45 ppm1 1.910999 ppm2 9.213406 volume 23600000 weight 1.0
REMARK dnoe: 2.801324 position 9.211999 1.651183
ASSI { 46 }
( attr rmsd >= 1.611183 and attr rmsd <= 1.691183 )
(( attr rmsd >= 9.171999 and attr rmsd <= 9.251999 )
and bondedto ( attr rmsd >= 121.238 and attr rmsd <= 122.038 ))
3.0 3.0 0.5999999
peak 46 ppm1 1.651183 ppm2 9.211999 volume 34100000 weight 1.0
REMARK dnoe: 3.054262 position 9.220439 1.355051
ASSI { 47 }
( attr rmsd >= 1.315051 and attr rmsd <= 1.395051 )
(( attr rmsd >= 9.180439 and attr rmsd <= 9.260439 )
and bondedto ( attr rmsd >= 121.2233 and attr rmsd <= 122.0233 ))
3.6 3.6 1.4
peak 47 ppm1 1.355051 ppm2 9.220439 volume 20300000 weight 1.0
REMARK dnoe: 3.018188 position 9.214812 1.042156
ASSI { 48 }
( attr rmsd >= 1.002156 and attr rmsd <= 1.082156 )
(( attr rmsd >= 9.174812 and attr rmsd <= 9.254812 )
and bondedto ( attr rmsd >= 121.2224 and attr rmsd <= 122.0224 ))
3.6 3.6 1.4
peak 48 ppm1 1.042156 ppm2 9.214812 volume 21800000 weight 1.0
REMARK dnoe: 2.650778 position 9.211999 0.6929207
ASSI { 49 }
( attr rmsd >= 0.6529207 and attr rmsd <= 0.7329207 )
(( attr rmsd >= 9.171999 and attr rmsd <= 9.251999 )
and bondedto ( attr rmsd >= 121.2481 and attr rmsd <= 122.0481 ))
3.0 3.0 0.5999999
peak 49 ppm1 0.6929207 ppm2 9.211999 volume 47500000 weight 1.0
REMARK dnoe: 3.758054 position 9.213406 0.2682877
ASSI { 50 }
( attr rmsd >= 0.2282877 and attr rmsd <= 0.3082877 )
(( attr rmsd >= 9.173406 and attr rmsd <= 9.253406 )
and bondedto ( attr rmsd >= 121.1956 and attr rmsd <= 121.9956 ))
4.2 4.2 1.8
peak 50 ppm1 0.2682877 ppm2 9.213406 volume 5850000 weight 1.0
REMARK dnoe: 2.995711 position 9.122932 9.39978
ASSI { 51 }
( attr rmsd >= 9.35978 and attr rmsd <= 9.43978 )
(( attr rmsd >= 9.082932 and attr rmsd <= 9.162932 )
and bondedto ( attr rmsd >= 128.8926 and attr rmsd <= 129.6926 ))
3.0 3.0 0.5999999
peak 51 ppm1 9.39978 ppm2 9.122932 volume 22800000 weight 1.0
REMARK dnoe: 3.315778 position 9.119556 5.440811
ASSI { 52 }
( attr rmsd >= 5.400811 and attr rmsd <= 5.480811 )
(( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 )
and bondedto ( attr rmsd >= 128.9436 and attr rmsd <= 129.7436 ))
3.6 3.6 1.4
peak 52 ppm1 5.440811 ppm2 9.119556 volume 12400000 weight 1.0
REMARK dnoe: 2.516411 position 9.117903 4.743209
ASSI { 53 }
( attr rmsd >= 4.703209 and attr rmsd <= 4.783209 )
(( attr rmsd >= 9.077903 and attr rmsd <= 9.157903 )
and bondedto ( attr rmsd >= 128.9275 and attr rmsd <= 129.7275 ))
3.0 3.0 0.5999999
peak 53 ppm1 4.743209 ppm2 9.117903 volume 64900000 weight 1.0
REMARK dnoe: 2.789187 position 9.119556 1.836444
ASSI { 54 }
( attr rmsd >= 1.796444 and attr rmsd <= 1.876444 )
(( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 )
and bondedto ( attr rmsd >= 128.9733 and attr rmsd <= 129.7733 ))
3.0 3.0 0.5999999
peak 54 ppm1 1.836444 ppm2 9.119556 volume 35000000 weight 1.0
REMARK dnoe: 2.818099 position 9.119556 1.467587
ASSI { 55 }
( attr rmsd >= 1.427587 and attr rmsd <= 1.507587 )
(( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 )
and bondedto ( attr rmsd >= 128.9332 and attr rmsd <= 129.7332 ))
3.0 3.0 0.5999999
peak 55 ppm1 1.467587 ppm2 9.119556 volume 32900000 weight 1.0
REMARK dnoe: 2.676759 position 9.119556 1.068343
ASSI { 56 }
( attr rmsd >= 1.028343 and attr rmsd <= 1.108343 )
(( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 )
and bondedto ( attr rmsd >= 128.9016 and attr rmsd <= 129.7016 ))
3.0 3.0 0.5999999
peak 56 ppm1 1.068343 ppm2 9.119556 volume 44800000 weight 1.0
REMARK dnoe: 2.628214 position 9.121572 0.6939526
ASSI { 57 }
( attr rmsd >= 0.6539526 and attr rmsd <= 0.7339526 )
(( attr rmsd >= 9.081572 and attr rmsd <= 9.161572 )
and bondedto ( attr rmsd >= 128.8834 and attr rmsd <= 129.6834 ))
3.0 3.0 0.5999999
peak 57 ppm1 0.6939526 ppm2 9.121572 volume 50000000 weight 1.0
REMARK dnoe: 3.504215 position 9.115536 0.2598004
ASSI { 58 }
( attr rmsd >= 0.2198004 and attr rmsd <= 0.2998004 )
(( attr rmsd >= 9.075536 and attr rmsd <= 9.155536 )
and bondedto ( attr rmsd >= 128.8942 and attr rmsd <= 129.6942 ))
3.6 3.6 1.4
peak 58 ppm1 0.2598004 ppm2 9.115536 volume 8900000 weight 1.0
REMARK dnoe: 3.273193 position 9.319036 6.112787
ASSI { 59 }
( attr rmsd >= 6.072787 and attr rmsd <= 6.152787 )
(( attr rmsd >= 9.279036 and attr rmsd <= 9.359035 )
and bondedto ( attr rmsd >= 124.2598 and attr rmsd <= 125.0598 ))
3.6 3.6 1.4
peak 59 ppm1 6.112787 ppm2 9.319036 volume 13400000 weight 1.0
REMARK dnoe: 2.673783 position 9.329844 5.426884
ASSI { 60 }
( attr rmsd >= 5.386884 and attr rmsd <= 5.466884 )
(( attr rmsd >= 9.289845 and attr rmsd <= 9.369844 )
and bondedto ( attr rmsd >= 124.2985 and attr rmsd <= 125.0985 ))
3.0 3.0 0.5999999
peak 60 ppm1 5.426884 ppm2 9.329844 volume 45100000 weight 1.0
REMARK dnoe: 2.852345 position 9.333595 1.798159
ASSI { 61 }
( attr rmsd >= 1.758159 and attr rmsd <= 1.838159 )
(( attr rmsd >= 9.293595 and attr rmsd <= 9.373595 )
and bondedto ( attr rmsd >= 124.3131 and attr rmsd <= 125.1131 ))
3.0 3.0 0.5999999
peak 61 ppm1 1.798159 ppm2 9.333595 volume 30600000 weight 1.0
REMARK dnoe: 2.779997 position 9.331181 1.408036
ASSI { 62 }
( attr rmsd >= 1.368036 and attr rmsd <= 1.448036 )
(( attr rmsd >= 9.291181 and attr rmsd <= 9.371181 )
and bondedto ( attr rmsd >= 124.3198 and attr rmsd <= 125.1198 ))
3.0 3.0 0.5999999
peak 62 ppm1 1.408036 ppm2 9.331181 volume 35700000 weight 1.0
REMARK dnoe: 2.853902 position 9.331181 0.9599817
ASSI { 63 }
( attr rmsd >= 0.9199817 and attr rmsd <= 0.9999817 )
(( attr rmsd >= 9.291181 and attr rmsd <= 9.371181 )
and bondedto ( attr rmsd >= 124.3198 and attr rmsd <= 125.1198 ))
3.0 3.0 0.5999999
peak 63 ppm1 0.9599817 ppm2 9.331181 volume 30500000 weight 1.0
REMARK dnoe: 2.962039 position 9.320021 0.6998138
ASSI { 64 }
( attr rmsd >= 0.6598138 and attr rmsd <= 0.7398138 )
(( attr rmsd >= 9.280021 and attr rmsd <= 9.360021 )
and bondedto ( attr rmsd >= 124.3397 and attr rmsd <= 125.1397 ))
3.0 3.0 0.5999999
peak 64 ppm1 0.6998138 ppm2 9.320021 volume 24400000 weight 1.0
REMARK dnoe: 3.520216 position 9.079992 8.442621
ASSI { 65 }
( attr rmsd >= 8.402621 and attr rmsd <= 8.482621 )
(( attr rmsd >= 9.039992 and attr rmsd <= 9.119992 )
and bondedto ( attr rmsd >= 120.5927 and attr rmsd <= 121.3927 ))
3.6 3.6 1.4
peak 65 ppm1 8.442621 ppm2 9.079992 volume 8660000 weight 1.0
REMARK dnoe: 3.082753 position 9.084517 7.221284
ASSI { 66 }
( attr rmsd >= 7.181284 and attr rmsd <= 7.261284 )
(( attr rmsd >= 9.044517 and attr rmsd <= 9.124516 )
and bondedto ( attr rmsd >= 120.5737 and attr rmsd <= 121.3737 ))
3.6 3.6 1.4
peak 66 ppm1 7.221284 ppm2 9.084517 volume 19200000 weight 1.0
REMARK dnoe: 3.763434 position 9.084517 6.854442
ASSI { 67 }
( attr rmsd >= 6.814442 and attr rmsd <= 6.894442 )
(( attr rmsd >= 9.044517 and attr rmsd <= 9.124516 )
and bondedto ( attr rmsd >= 120.6259 and attr rmsd <= 121.4259 ))
4.2 4.2 1.8
peak 67 ppm1 6.854442 ppm2 9.084517 volume 5800000 weight 1.0
REMARK dnoe: 3.431116 position 9.091316 6.581544
ASSI { 68 }
( attr rmsd >= 6.541544 and attr rmsd <= 6.621544 )
(( attr rmsd >= 9.051316 and attr rmsd <= 9.131316 )
and bondedto ( attr rmsd >= 120.5821 and attr rmsd <= 121.3821 ))
3.6 3.6 1.4
peak 68 ppm1 6.581544 ppm2 9.091316 volume 10100000 weight 1.0
REMARK dnoe: 2.894872 position 9.084517 6.134169
ASSI { 69 }
( attr rmsd >= 6.094169 and attr rmsd <= 6.174169 )
(( attr rmsd >= 9.044517 and attr rmsd <= 9.124516 )
and bondedto ( attr rmsd >= 120.578 and attr rmsd <= 121.378 ))
3.0 3.0 0.5999999
peak 69 ppm1 6.134169 ppm2 9.084517 volume 28000000 weight 1.0
REMARK dnoe: 3.50225 position 9.086792 5.619672
ASSI { 70 }
( attr rmsd >= 5.579672 and attr rmsd <= 5.659672 )
(( attr rmsd >= 9.046792 and attr rmsd <= 9.126792 )
and bondedto ( attr rmsd >= 120.5764 and attr rmsd <= 121.3764 ))
3.6 3.6 1.4
peak 70 ppm1 5.619672 ppm2 9.086792 volume 8930000 weight 1.0
REMARK dnoe: 3.056777 position 9.075338 1.747635
ASSI { 71 }
( attr rmsd >= 1.707635 and attr rmsd <= 1.787635 )
(( attr rmsd >= 9.035338 and attr rmsd <= 9.115338 )
and bondedto ( attr rmsd >= 120.5616 and attr rmsd <= 121.3616 ))
3.6 3.6 1.4
peak 71 ppm1 1.747635 ppm2 9.075338 volume 20200000 weight 1.0
REMARK dnoe: 3.223068 position 9.08365 1.348299
ASSI { 72 }
( attr rmsd >= 1.308299 and attr rmsd <= 1.388299 )
(( attr rmsd >= 9.04365 and attr rmsd <= 9.12365 )
and bondedto ( attr rmsd >= 120.5401 and attr rmsd <= 121.3401 ))
3.6 3.6 1.4
peak 72 ppm1 1.348299 ppm2 9.08365 volume 14700000 weight 1.0
REMARK dnoe: 2.966105 position 8.778562 9.059994
ASSI { 73 }
( attr rmsd >= 9.019994 and attr rmsd <= 9.099994 )
(( attr rmsd >= 8.738562 and attr rmsd <= 8.818562 )
and bondedto ( attr rmsd >= 115.4919 and attr rmsd <= 116.2919 ))
3.0 3.0 0.5999999
peak 73 ppm1 9.059994 ppm2 8.778562 volume 24200000 weight 1.0
REMARK dnoe: 3.393009 position 8.778421 7.237273
ASSI { 74 }
( attr rmsd >= 7.197273 and attr rmsd <= 7.277273 )
(( attr rmsd >= 8.738421 and attr rmsd <= 8.818421 )
and bondedto ( attr rmsd >= 115.3721 and attr rmsd <= 116.1721 ))
3.6 3.6 1.4
peak 74 ppm1 7.237273 ppm2 8.778421 volume 10800000 weight 1.0
REMARK dnoe: 2.946155 position 8.776241 6.913711
ASSI { 75 }
( attr rmsd >= 6.873711 and attr rmsd <= 6.953711 )
(( attr rmsd >= 8.736241 and attr rmsd <= 8.816241 )
and bondedto ( attr rmsd >= 115.3921 and attr rmsd <= 116.1921 ))
3.0 3.0 0.5999999
peak 75 ppm1 6.913711 ppm2 8.776241 volume 25200000 weight 1.0
REMARK dnoe: 2.579037 position 8.778399 6.600769
ASSI { 76 }
( attr rmsd >= 6.560769 and attr rmsd <= 6.640769 )
(( attr rmsd >= 8.7384 and attr rmsd <= 8.818399 )
and bondedto ( attr rmsd >= 115.3921 and attr rmsd <= 116.1921 ))
3.0 3.0 0.5999999
peak 76 ppm1 6.600769 ppm2 8.778399 volume 56000000 weight 1.0
REMARK dnoe: 3.553831 position 8.768047 5.891936
ASSI { 77 }
( attr rmsd >= 5.851936 and attr rmsd <= 5.931936 )
(( attr rmsd >= 8.728047 and attr rmsd <= 8.808047 )
and bondedto ( attr rmsd >= 115.4319 and attr rmsd <= 116.2319 ))
3.6 3.6 1.4
peak 77 ppm1 5.891936 ppm2 8.768047 volume 8180000 weight 1.0
REMARK dnoe: 3.3433 position 8.778374 4.981971
ASSI { 79 }
( attr rmsd >= 4.941971 and attr rmsd <= 5.021971 )
(( attr rmsd >= 8.738374 and attr rmsd <= 8.818374 )
and bondedto ( attr rmsd >= 115.3743 and attr rmsd <= 116.1743 ))
3.6 3.6 1.4
peak 79 ppm1 4.981971 ppm2 8.778374 volume 11800000 weight 1.0
REMARK dnoe: 3.965166 position 8.769747 4.418732
ASSI { 80 }
( attr rmsd >= 4.378732 and attr rmsd <= 4.458732 )
(( attr rmsd >= 8.729747 and attr rmsd <= 8.809747 )
and bondedto ( attr rmsd >= 115.3481 and attr rmsd <= 116.1481 ))
4.2 4.2 1.8
peak 80 ppm1 4.418732 ppm2 8.769747 volume 4240000 weight 1.0
REMARK dnoe: 3.056777 position 8.77862 3.598349
ASSI { 81 }
( attr rmsd >= 3.558349 and attr rmsd <= 3.638349 )
(( attr rmsd >= 8.73862 and attr rmsd <= 8.81862 )
and bondedto ( attr rmsd >= 115.3813 and attr rmsd <= 116.1813 ))
3.6 3.6 1.4
peak 81 ppm1 3.598349 ppm2 8.77862 volume 20200000 weight 1.0
REMARK dnoe: 2.962039 position 8.768996 3.246629
ASSI { 82 }
( attr rmsd >= 3.206629 and attr rmsd <= 3.286629 )
(( attr rmsd >= 8.728996 and attr rmsd <= 8.808996 )
and bondedto ( attr rmsd >= 115.3737 and attr rmsd <= 116.1737 ))
3.0 3.0 0.5999999
peak 82 ppm1 3.246629 ppm2 8.768996 volume 24400000 weight 1.0
REMARK dnoe: 3.281406 position 8.766101 1.942228
ASSI { 83 }
( attr rmsd >= 1.902228 and attr rmsd <= 1.982228 )
(( attr rmsd >= 8.726101 and attr rmsd <= 8.806101 )
and bondedto ( attr rmsd >= 115.3905 and attr rmsd <= 116.1905 ))
3.6 3.6 1.4
peak 83 ppm1 1.942228 ppm2 8.766101 volume 13200000 weight 1.0
REMARK dnoe: 3.362571 position 8.768879 1.477902
ASSI { 85 }
( attr rmsd >= 1.437902 and attr rmsd <= 1.517902 )
(( attr rmsd >= 8.728879 and attr rmsd <= 8.808879 )
and bondedto ( attr rmsd >= 115.4319 and attr rmsd <= 116.2319 ))
3.6 3.6 1.4
peak 85 ppm1 1.477902 ppm2 8.768879 volume 11400000 weight 1.0
REMARK dnoe: 3.58983 position 8.768938 1.239069
ASSI { 86 }
( attr rmsd >= 1.199069 and attr rmsd <= 1.279069 )
(( attr rmsd >= 8.728938 and attr rmsd <= 8.808938 )
and bondedto ( attr rmsd >= 115.3721 and attr rmsd <= 116.1721 ))
3.6 3.6 1.4
peak 86 ppm1 1.239069 ppm2 8.768938 volume 7700000 weight 1.0
REMARK dnoe: 3.133748 position 8.768774 0.804847
ASSI { 87 }
( attr rmsd >= 0.764847 and attr rmsd <= 0.844847 )
(( attr rmsd >= 8.728774 and attr rmsd <= 8.808774 )
and bondedto ( attr rmsd >= 115.4719 and attr rmsd <= 116.2719 ))
3.6 3.6 1.4
peak 87 ppm1 0.804847 ppm2 8.768774 volume 17400000 weight 1.0
REMARK dnoe: 3.756984 position 8.777741 0.23312
ASSI { 88 }
( attr rmsd >= 0.19312 and attr rmsd <= 0.27312 )
(( attr rmsd >= 8.737741 and attr rmsd <= 8.817741 )
and bondedto ( attr rmsd >= 115.3921 and attr rmsd <= 116.1921 ))
4.2 4.2 1.8
peak 88 ppm1 0.23312 ppm2 8.777741 volume 5860001 weight 1.0
REMARK dnoe: 3.583651 position 8.779324 3.960221
ASSI { 89 }
( attr rmsd >= 3.920221 and attr rmsd <= 4.000221 )
(( attr rmsd >= 8.739324 and attr rmsd <= 8.819324 )
and bondedto ( attr rmsd >= 115.412 and attr rmsd <= 116.212 ))
3.6 3.6 1.4
peak 89 ppm1 3.960221 ppm2 8.779324 volume 7780000 weight 1.0
REMARK dnoe: 3.145919 position 8.768774 2.144275
ASSI { 90 }
( attr rmsd >= 2.104275 and attr rmsd <= 2.184275 )
(( attr rmsd >= 8.728774 and attr rmsd <= 8.808774 )
and bondedto ( attr rmsd >= 115.3905 and attr rmsd <= 116.1905 ))
3.6 3.6 1.4
peak 90 ppm1 2.144275 ppm2 8.768774 volume 17000000 weight 1.0
REMARK dnoe: 3.568523 position 8.94345 6.601378
ASSI { 91 }
( attr rmsd >= 6.561378 and attr rmsd <= 6.641378 )
(( attr rmsd >= 8.90345 and attr rmsd <= 8.98345 )
and bondedto ( attr rmsd >= 126.2171 and attr rmsd <= 127.0171 ))
3.6 3.6 1.4
peak 91 ppm1 6.601378 ppm2 8.94345 volume 7980000 weight 1.0
REMARK dnoe: 2.769747 position 8.951737 4.416293
ASSI { 92 }
( attr rmsd >= 4.376293 and attr rmsd <= 4.456293 )
(( attr rmsd >= 8.911737 and attr rmsd <= 8.991737 )
and bondedto ( attr rmsd >= 126.2196 and attr rmsd <= 127.0196 ))
3.0 3.0 0.5999999
peak 92 ppm1 4.416293 ppm2 8.951737 volume 36500000 weight 1.0
REMARK dnoe: 2.672797 position 8.949018 3.973373
ASSI { 93 }
( attr rmsd >= 3.933373 and attr rmsd <= 4.013373 )
(( attr rmsd >= 8.909018 and attr rmsd <= 8.989017 )
and bondedto ( attr rmsd >= 126.2569 and attr rmsd <= 127.0569 ))
3.0 3.0 0.5999999
peak 93 ppm1 3.973373 ppm2 8.949018 volume 45200000 weight 1.0
REMARK dnoe: 3.002331 position 8.947143 2.131451
ASSI { 94 }
( attr rmsd >= 2.091451 and attr rmsd <= 2.171451 )
(( attr rmsd >= 8.907143 and attr rmsd <= 8.987143 )
and bondedto ( attr rmsd >= 126.2171 and attr rmsd <= 127.0171 ))
3.6 3.6 1.4
peak 94 ppm1 2.131451 ppm2 8.947143 volume 22500000 weight 1.0
REMARK dnoe: 2.930849 position 8.947143 1.939461
ASSI { 95 }
( attr rmsd >= 1.899461 and attr rmsd <= 1.979461 )
(( attr rmsd >= 8.907143 and attr rmsd <= 8.987143 )
and bondedto ( attr rmsd >= 126.1733 and attr rmsd <= 126.9733 ))
3.0 3.0 0.5999999
peak 95 ppm1 1.939461 ppm2 8.947143 volume 26000000 weight 1.0
REMARK dnoe: 2.62997 position 8.94944 1.510865
ASSI { 96 }
( attr rmsd >= 1.470865 and attr rmsd <= 1.550865 )
(( attr rmsd >= 8.90944 and attr rmsd <= 8.98944 )
and bondedto ( attr rmsd >= 126.2306 and attr rmsd <= 127.0306 ))
3.0 3.0 0.5999999
peak 96 ppm1 1.510865 ppm2 8.94944 volume 49800000 weight 1.0
REMARK dnoe: 2.674773 position 8.951737 1.22662
ASSI { 97 }
( attr rmsd >= 1.18662 and attr rmsd <= 1.26662 )
(( attr rmsd >= 8.911737 and attr rmsd <= 8.991737 )
and bondedto ( attr rmsd >= 126.2177 and attr rmsd <= 127.0177 ))
3.0 3.0 0.5999999
peak 97 ppm1 1.22662 ppm2 8.951737 volume 45000000 weight 1.0
REMARK dnoe: 3.398274 position 8.94944 0.7709689
ASSI { 98 }
( attr rmsd >= 0.7309689 and attr rmsd <= 0.8109689 )
(( attr rmsd >= 8.90944 and attr rmsd <= 8.98944 )
and bondedto ( attr rmsd >= 126.1907 and attr rmsd <= 126.9907 ))
3.6 3.6 1.4
peak 98 ppm1 0.7709689 ppm2 8.94944 volume 10700000 weight 1.0
REMARK dnoe: 3.897679 position 8.947143 0.1116524
ASSI { 99 }
( attr rmsd >= 0.0716524 and attr rmsd <= 0.1516524 )
(( attr rmsd >= 8.907143 and attr rmsd <= 8.987143 )
and bondedto ( attr rmsd >= 126.1771 and attr rmsd <= 126.9771 ))
4.2 4.2 1.8
peak 99 ppm1 0.1116524 ppm2 8.947143 volume 4700000 weight 1.0
REMARK dnoe: 2.81953 position 8.949898 3.815378
ASSI { 100 }
( attr rmsd >= 3.775378 and attr rmsd <= 3.855378 )
(( attr rmsd >= 8.909898 and attr rmsd <= 8.989898 )
and bondedto ( attr rmsd >= 126.2317 and attr rmsd <= 127.0317 ))
3.0 3.0 0.5999999
peak 100 ppm1 3.815378 ppm2 8.949898 volume 32800000 weight 1.0
REMARK dnoe: 2.828219 position 8.745446 4.376085
ASSI { 101 }
( attr rmsd >= 4.336085 and attr rmsd <= 4.416085 )
(( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
and bondedto ( attr rmsd >= 118.0724 and attr rmsd <= 118.8724 ))
3.0 3.0 0.5999999
peak 101 ppm1 4.376085 ppm2 8.745446 volume 32200000 weight 1.0
REMARK dnoe: 2.9179 position 8.745446 3.81226
ASSI { 102 }
( attr rmsd >= 3.77226 and attr rmsd <= 3.85226 )
(( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
and bondedto ( attr rmsd >= 118.091 and attr rmsd <= 118.891 ))
3.0 3.0 0.5999999
peak 102 ppm1 3.81226 ppm2 8.745446 volume 26699998 weight 1.0
REMARK dnoe: 3.107519 position 8.745446 2.899833
ASSI { 103 }
( attr rmsd >= 2.859833 and attr rmsd <= 2.939833 )
(( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
and bondedto ( attr rmsd >= 118.0771 and attr rmsd <= 118.8771 ))
3.6 3.6 1.4
peak 103 ppm1 2.899833 ppm2 8.745446 volume 18300000 weight 1.0
REMARK dnoe: 3.285568 position 8.745446 2.125144
ASSI { 104 }
( attr rmsd >= 2.085144 and attr rmsd <= 2.165144 )
(( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
and bondedto ( attr rmsd >= 118.0724 and attr rmsd <= 118.8724 ))
3.6 3.6 1.4
peak 104 ppm1 2.125144 ppm2 8.745446 volume 13100000 weight 1.0
REMARK dnoe: 3.155268 position 8.745446 1.492461
ASSI { 105 }
( attr rmsd >= 1.452461 and attr rmsd <= 1.532461 )
(( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
and bondedto ( attr rmsd >= 118.0869 and attr rmsd <= 118.8869 ))
3.6 3.6 1.4
peak 105 ppm1 1.492461 ppm2 8.745446 volume 16700000 weight 1.0
REMARK dnoe: 3.142845 position 8.747626 1.23424
ASSI { 106 }
( attr rmsd >= 1.19424 and attr rmsd <= 1.27424 )
(( attr rmsd >= 8.707626 and attr rmsd <= 8.787626 )
and bondedto ( attr rmsd >= 118.0986 and attr rmsd <= 118.8986 ))
3.6 3.6 1.4
peak 106 ppm1 1.23424 ppm2 8.747626 volume 17100000 weight 1.0
REMARK dnoe: 3.945258 position 7.608757 8.756359
ASSI { 107 }
( attr rmsd >= 8.716359 and attr rmsd <= 8.796359 )
(( attr rmsd >= 7.568757 and attr rmsd <= 7.648757 )
and bondedto ( attr rmsd >= 113.3932 and attr rmsd <= 114.1932 ))
4.2 4.2 1.8
peak 107 ppm1 8.756359 ppm2 7.608757 volume 4370000 weight 1.0
REMARK dnoe: 3.781022 position 8.745657 7.596542
ASSI { 108 }
( attr rmsd >= 7.556542 and attr rmsd <= 7.636542 )
(( attr rmsd >= 8.705657 and attr rmsd <= 8.785657 )
and bondedto ( attr rmsd >= 118.0449 and attr rmsd <= 118.8449 ))
4.2 4.2 1.8
peak 108 ppm1 7.596542 ppm2 8.745657 volume 5640000 weight 1.0
REMARK dnoe: 3.158428 position 7.606987 4.394794
ASSI { 109 }
( attr rmsd >= 4.354794 and attr rmsd <= 4.434794 )
(( attr rmsd >= 7.566987 and attr rmsd <= 7.646987 )
and bondedto ( attr rmsd >= 113.3855 and attr rmsd <= 114.1855 ))
3.6 3.6 1.4
peak 109 ppm1 4.394794 ppm2 7.606987 volume 16599999 weight 1.0
REMARK dnoe: 3.219428 position 7.608886 3.790011
ASSI { 110 }
( attr rmsd >= 3.750011 and attr rmsd <= 3.830011 )
(( attr rmsd >= 7.568886 and attr rmsd <= 7.648886 )
and bondedto ( attr rmsd >= 113.3976 and attr rmsd <= 114.1976 ))
3.6 3.6 1.4
peak 110 ppm1 3.790011 ppm2 7.608886 volume 14800000 weight 1.0
REMARK dnoe: 3.352839 position 7.597515 3.523302
ASSI { 111 }
( attr rmsd >= 3.483302 and attr rmsd <= 3.563302 )
(( attr rmsd >= 7.557515 and attr rmsd <= 7.637515 )
and bondedto ( attr rmsd >= 113.3607 and attr rmsd <= 114.1607 ))
3.6 3.6 1.4
peak 111 ppm1 3.523302 ppm2 7.597515 volume 11600000 weight 1.0
REMARK dnoe: 3.543794 position 7.608886 2.899739
ASSI { 112 }
( attr rmsd >= 2.859739 and attr rmsd <= 2.939739 )
(( attr rmsd >= 7.568886 and attr rmsd <= 7.648886 )
and bondedto ( attr rmsd >= 113.4064 and attr rmsd <= 114.2064 ))
3.6 3.6 1.4
peak 112 ppm1 2.899739 ppm2 7.608886 volume 8320000 weight 1.0
REMARK dnoe: 2.717702 position 8.023684 4.381994
ASSI { 113 }
( attr rmsd >= 4.341994 and attr rmsd <= 4.421994 )
(( attr rmsd >= 7.983684 and attr rmsd <= 8.063684 )
and bondedto ( attr rmsd >= 114.6073 and attr rmsd <= 115.4073 ))
3.0 3.0 0.5999999
peak 113 ppm1 4.381994 ppm2 8.023684 volume 40900000 weight 1.0
REMARK dnoe: 3.269139 position 8.021515 3.764948
ASSI { 114 }
( attr rmsd >= 3.724948 and attr rmsd <= 3.804948 )
(( attr rmsd >= 7.981515 and attr rmsd <= 8.061515 )
and bondedto ( attr rmsd >= 114.5811 and attr rmsd <= 115.3811 ))
3.6 3.6 1.4
peak 114 ppm1 3.764948 ppm2 8.021515 volume 13500001 weight 1.0
REMARK dnoe: 3.438533 position 8.019346 3.529257
ASSI { 115 }
( attr rmsd >= 3.489257 and attr rmsd <= 3.569257 )
(( attr rmsd >= 7.979346 and attr rmsd <= 8.059346 )
and bondedto ( attr rmsd >= 114.5907 and attr rmsd <= 115.3907 ))
3.6 3.6 1.4
peak 115 ppm1 3.529257 ppm2 8.019346 volume 9970000 weight 1.0
REMARK dnoe: 3.546642 position 8.032335 2.286609
ASSI { 116 }
( attr rmsd >= 2.246609 and attr rmsd <= 2.326609 )
(( attr rmsd >= 7.992335 and attr rmsd <= 8.072335 )
and bondedto ( attr rmsd >= 114.5807 and attr rmsd <= 115.3807 ))
3.6 3.6 1.4
peak 116 ppm1 2.286609 ppm2 8.032335 volume 8280000 weight 1.0
REMARK dnoe: 2.710026 position 8.030178 0.7440076
ASSI { 117 }
( attr rmsd >= 0.7040076 and attr rmsd <= 0.7840076 )
(( attr rmsd >= 7.990178 and attr rmsd <= 8.070178 )
and bondedto ( attr rmsd >= 114.6055 and attr rmsd <= 115.4055 ))
3.0 3.0 0.5999999
peak 117 ppm1 0.7440076 ppm2 8.030178 volume 41600000 weight 1.0
REMARK dnoe: 3.051762 position 7.879756 4.349335
ASSI { 118 }
( attr rmsd >= 4.309335 and attr rmsd <= 4.389335 )
(( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 )
and bondedto ( attr rmsd >= 110.1381 and attr rmsd <= 110.9381 ))
3.6 3.6 1.4
peak 118 ppm1 4.349335 ppm2 7.879756 volume 20400000 weight 1.0
REMARK dnoe: 2.87634 position 7.879756 4.047623
ASSI { 119 }
( attr rmsd >= 4.007623 and attr rmsd <= 4.087623 )
(( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 )
and bondedto ( attr rmsd >= 110.1268 and attr rmsd <= 110.9268 ))
3.0 3.0 0.5999999
peak 119 ppm1 4.047623 ppm2 7.879756 volume 29100000 weight 1.0
REMARK dnoe: 2.711113 position 7.881808 3.696959
ASSI { 120 }
( attr rmsd >= 3.656959 and attr rmsd <= 3.736959 )
(( attr rmsd >= 7.841808 and attr rmsd <= 7.921808 )
and bondedto ( attr rmsd >= 110.1274 and attr rmsd <= 110.9274 ))
3.0 3.0 0.5999999
peak 120 ppm1 3.696959 ppm2 7.881808 volume 41500000 weight 1.0
REMARK dnoe: 3.60561 position 7.877693 2.265814
ASSI { 121 }
( attr rmsd >= 2.225814 and attr rmsd <= 2.305814 )
(( attr rmsd >= 7.837693 and attr rmsd <= 7.917693 )
and bondedto ( attr rmsd >= 110.1575 and attr rmsd <= 110.9575 ))
4.2 4.2 1.8
peak 121 ppm1 2.265814 ppm2 7.877693 volume 7500000 weight 1.0
REMARK dnoe: 3.548071 position 7.879756 1.935546
ASSI { 122 }
( attr rmsd >= 1.895546 and attr rmsd <= 1.975546 )
(( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 )
and bondedto ( attr rmsd >= 110.103 and attr rmsd <= 110.903 ))
3.6 3.6 1.4
peak 122 ppm1 1.935546 ppm2 7.879756 volume 8260000 weight 1.0
REMARK dnoe: 3.827664 position 7.881808 1.629731
ASSI { 123 }
( attr rmsd >= 1.589731 and attr rmsd <= 1.669731 )
(( attr rmsd >= 7.841808 and attr rmsd <= 7.921808 )
and bondedto ( attr rmsd >= 110.0809 and attr rmsd <= 110.8809 ))
4.2 4.2 1.8
peak 123 ppm1 1.629731 ppm2 7.881808 volume 5240000 weight 1.0
REMARK dnoe: 3.029882 position 7.879756 0.7653425
ASSI { 124 }
( attr rmsd >= 0.7253425 and attr rmsd <= 0.8053425 )
(( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 )
and bondedto ( attr rmsd >= 110.1323 and attr rmsd <= 110.9323 ))
3.6 3.6 1.4
peak 124 ppm1 0.7653425 ppm2 7.879756 volume 21300000 weight 1.0
REMARK dnoe: 2.647998 position 8.078041 4.071302
ASSI { 125 }
( attr rmsd >= 4.031302 and attr rmsd <= 4.111302 )
(( attr rmsd >= 8.038041 and attr rmsd <= 8.118041 )
and bondedto ( attr rmsd >= 118.2908 and attr rmsd <= 119.0908 ))
3.0 3.0 0.5999999
peak 125 ppm1 4.071302 ppm2 8.078041 volume 47800000 weight 1.0
REMARK dnoe: 2.87634 position 8.07626 3.672412
ASSI { 126 }
( attr rmsd >= 3.632412 and attr rmsd <= 3.712412 )
(( attr rmsd >= 8.03626 and attr rmsd <= 8.11626 )
and bondedto ( attr rmsd >= 118.2892 and attr rmsd <= 119.0892 ))
3.0 3.0 0.5999999
peak 126 ppm1 3.672412 ppm2 8.07626 volume 29100000 weight 1.0
REMARK dnoe: 3.659612 position 8.078041 3.132336
ASSI { 127 }
( attr rmsd >= 3.092336 and attr rmsd <= 3.172336 )
(( attr rmsd >= 8.038041 and attr rmsd <= 8.118041 )
and bondedto ( attr rmsd >= 118.3064 and attr rmsd <= 119.1064 ))
4.2 4.2 1.8
peak 127 ppm1 3.132336 ppm2 8.078041 volume 6860000 weight 1.0
REMARK dnoe: 2.474965 position 8.078041 1.635639
ASSI { 128 }
( attr rmsd >= 1.595639 and attr rmsd <= 1.675639 )
(( attr rmsd >= 8.038041 and attr rmsd <= 8.118041 )
and bondedto ( attr rmsd >= 118.2869 and attr rmsd <= 119.0869 ))
2.5 2.5 0.2
peak 128 ppm1 1.635639 ppm2 8.078041 volume 71700000 weight 1.0
REMARK dnoe: 2.812429 position 8.27574 7.302286
ASSI { 129 }
( attr rmsd >= 7.262286 and attr rmsd <= 7.342286 )
(( attr rmsd >= 8.23574 and attr rmsd <= 8.31574 )
and bondedto ( attr rmsd >= 121.6441 and attr rmsd <= 122.4441 ))
3.0 3.0 0.5999999
peak 129 ppm1 7.302286 ppm2 8.27574 volume 33300000 weight 1.0
REMARK dnoe: 2.329965 position 8.275587 4.137253
ASSI { 130 }
( attr rmsd >= 4.097253 and attr rmsd <= 4.177253 )
(( attr rmsd >= 8.235587 and attr rmsd <= 8.315587 )
and bondedto ( attr rmsd >= 121.6433 and attr rmsd <= 122.4433 ))
2.5 2.5 0.2
peak 130 ppm1 4.137253 ppm2 8.275587 volume 103000000 weight 1.0
REMARK dnoe: 2.753639 position 8.281202 2.979498
ASSI { 131 }
( attr rmsd >= 2.939498 and attr rmsd <= 3.019498 )
(( attr rmsd >= 8.241202 and attr rmsd <= 8.321202 )
and bondedto ( attr rmsd >= 121.6517 and attr rmsd <= 122.4517 ))
3.0 3.0 0.5999999
peak 131 ppm1 2.979498 ppm2 8.281202 volume 37800000 weight 1.0
REMARK dnoe: 2.493264 position 8.283242 1.694908
ASSI { 132 }
( attr rmsd >= 1.654908 and attr rmsd <= 1.734908 )
(( attr rmsd >= 8.243242 and attr rmsd <= 8.323242 )
and bondedto ( attr rmsd >= 121.6429 and attr rmsd <= 122.4429 ))
2.5 2.5 0.2
peak 132 ppm1 1.694908 ppm2 8.283242 volume 68600000 weight 1.0
REMARK dnoe: 2.754855 position 8.281202 2.813884
ASSI { 133 }
( attr rmsd >= 2.773884 and attr rmsd <= 2.853884 )
(( attr rmsd >= 8.241202 and attr rmsd <= 8.321202 )
and bondedto ( attr rmsd >= 121.6517 and attr rmsd <= 122.4517 ))
3.0 3.0 0.5999999
peak 133 ppm1 2.813884 ppm2 8.281202 volume 37700000 weight 1.0
REMARK dnoe: 3.234163 position 8.430734 9.089956
ASSI { 134 }
( attr rmsd >= 9.049956 and attr rmsd <= 9.129956 )
(( attr rmsd >= 8.390734 and attr rmsd <= 8.470734 )
and bondedto ( attr rmsd >= 124.3856 and attr rmsd <= 125.1856 ))
3.6 3.6 1.4
peak 134 ppm1 9.089956 ppm2 8.430734 volume 14399999 weight 1.0
REMARK dnoe: 3.324776 position 8.430734 7.238164
ASSI { 135 }
( attr rmsd >= 7.198164 and attr rmsd <= 7.278164 )
(( attr rmsd >= 8.390734 and attr rmsd <= 8.470734 )
and bondedto ( attr rmsd >= 124.3782 and attr rmsd <= 125.1782 ))
3.6 3.6 1.4
peak 135 ppm1 7.238164 ppm2 8.430734 volume 12200000 weight 1.0
REMARK dnoe: 3.537445 position 8.419973 6.906865
ASSI { 136 }
( attr rmsd >= 6.866865 and attr rmsd <= 6.946865 )
(( attr rmsd >= 8.379973 and attr rmsd <= 8.459973 )
and bondedto ( attr rmsd >= 124.3321 and attr rmsd <= 125.1321 ))
3.6 3.6 1.4
peak 136 ppm1 6.906865 ppm2 8.419973 volume 8410000 weight 1.0
REMARK dnoe: 3.828883 position 8.422118 6.626558
ASSI { 137 }
( attr rmsd >= 6.586558 and attr rmsd <= 6.666558 )
(( attr rmsd >= 8.382118 and attr rmsd <= 8.462118 )
and bondedto ( attr rmsd >= 124.3432 and attr rmsd <= 125.1432 ))
4.2 4.2 1.8
peak 137 ppm1 6.626558 ppm2 8.422118 volume 5230000 weight 1.0
REMARK dnoe: 3.697394 position 8.437204 6.127956
ASSI { 138 }
( attr rmsd >= 6.087956 and attr rmsd <= 6.167956 )
(( attr rmsd >= 8.397204 and attr rmsd <= 8.477204 )
and bondedto ( attr rmsd >= 124.3596 and attr rmsd <= 125.1596 ))
4.2 4.2 1.8
peak 138 ppm1 6.127956 ppm2 8.437204 volume 6450000 weight 1.0
REMARK dnoe: 2.470393 position 8.428613 4.090902
ASSI { 139 }
( attr rmsd >= 4.050902 and attr rmsd <= 4.130902 )
(( attr rmsd >= 8.388613 and attr rmsd <= 8.468613 )
and bondedto ( attr rmsd >= 124.3756 and attr rmsd <= 125.1756 ))
2.5 2.5 0.2
peak 139 ppm1 4.090902 ppm2 8.428613 volume 72500000 weight 1.0
REMARK dnoe: 2.912472 position 8.433489 2.989298
ASSI { 140 }
( attr rmsd >= 2.949298 and attr rmsd <= 3.029298 )
(( attr rmsd >= 8.393489 and attr rmsd <= 8.473489 )
and bondedto ( attr rmsd >= 124.4995 and attr rmsd <= 125.2995 ))
3.0 3.0 0.5999999
peak 140 ppm1 2.989298 ppm2 8.433489 volume 27000002 weight 1.0
REMARK dnoe: 3.241711 position 8.437733 1.7704
ASSI { 141 }
( attr rmsd >= 1.7304 and attr rmsd <= 1.8104 )
(( attr rmsd >= 8.397733 and attr rmsd <= 8.477733 )
and bondedto ( attr rmsd >= 124.3397 and attr rmsd <= 125.1397 ))
3.6 3.6 1.4
peak 141 ppm1 1.7704 ppm2 8.437733 volume 14200000 weight 1.0
REMARK dnoe: 2.958011 position 8.430828 1.428527
ASSI { 142 }
( attr rmsd >= 1.388527 and attr rmsd <= 1.468527 )
(( attr rmsd >= 8.390828 and attr rmsd <= 8.470828 )
and bondedto ( attr rmsd >= 124.3996 and attr rmsd <= 125.1996 ))
3.0 3.0 0.5999999
peak 142 ppm1 1.428527 ppm2 8.430828 volume 24600000 weight 1.0
REMARK dnoe: 2.858607 position 8.430828 1.125057
ASSI { 143 }
( attr rmsd >= 1.085057 and attr rmsd <= 1.165057 )
(( attr rmsd >= 8.390828 and attr rmsd <= 8.470828 )
and bondedto ( attr rmsd >= 124.3795 and attr rmsd <= 125.1795 ))
3.0 3.0 0.5999999
peak 143 ppm1 1.125057 ppm2 8.430828 volume 30199998 weight 1.0
REMARK dnoe: 2.984899 position 8.430828 0.6770487
ASSI { 144 }
( attr rmsd >= 0.6370487 and attr rmsd <= 0.7170487 )
(( attr rmsd >= 8.390828 and attr rmsd <= 8.470828 )
and bondedto ( attr rmsd >= 124.3996 and attr rmsd <= 125.1996 ))
3.0 3.0 0.5999999
peak 144 ppm1 0.6770487 ppm2 8.430828 volume 23300000 weight 1.0
REMARK dnoe: 2.81953 position 8.428331 -0.0592136
ASSI { 145 }
( attr rmsd >= -0.0992136 and attr rmsd <= -0.0192136 )
(( attr rmsd >= 8.388331 and attr rmsd <= 8.468331 )
and bondedto ( attr rmsd >= 124.3815 and attr rmsd <= 125.1815 ))
3.0 3.0 0.5999999
peak 145 ppm1 -0.0592136 ppm2 8.428331 volume 32800000 weight 1.0
REMARK dnoe: 3.393009 position 8.444098 1.941571
ASSI { 146 }
( attr rmsd >= 1.901571 and attr rmsd <= 1.981571 )
(( attr rmsd >= 8.404099 and attr rmsd <= 8.484098 )
and bondedto ( attr rmsd >= 124.3397 and attr rmsd <= 125.1397 ))
3.6 3.6 1.4
peak 146 ppm1 1.941571 ppm2 8.444098 volume 10800000 weight 1.0
REMARK dnoe: 3.110358 position 8.428179 2.801435
ASSI { 147 }
( attr rmsd >= 2.761435 and attr rmsd <= 2.841435 )
(( attr rmsd >= 8.388179 and attr rmsd <= 8.468179 )
and bondedto ( attr rmsd >= 124.3795 and attr rmsd <= 125.1795 ))
3.6 3.6 1.4
peak 147 ppm1 2.801435 ppm2 8.428179 volume 18200000 weight 1.0
REMARK dnoe: 3.729899 position 7.819632 5.641428
ASSI { 148 }
( attr rmsd >= 5.601428 and attr rmsd <= 5.681428 )
(( attr rmsd >= 7.779632 and attr rmsd <= 7.859632 )
and bondedto ( attr rmsd >= 116.8704 and attr rmsd <= 117.6704 ))
4.2 4.2 1.8
peak 148 ppm1 5.641428 ppm2 7.819632 volume 6120000 weight 1.0
REMARK dnoe: 2.77356 position 7.820511 4.117606
ASSI { 149 }
( attr rmsd >= 4.077606 and attr rmsd <= 4.157606 )
(( attr rmsd >= 7.780511 and attr rmsd <= 7.860511 )
and bondedto ( attr rmsd >= 116.8476 and attr rmsd <= 117.6476 ))
3.0 3.0 0.5999999
peak 149 ppm1 4.117606 ppm2 7.820511 volume 36200000 weight 1.0
REMARK dnoe: 2.930849 position 7.820511 1.777199
ASSI { 150 }
( attr rmsd >= 1.737199 and attr rmsd <= 1.817199 )
(( attr rmsd >= 7.780511 and attr rmsd <= 7.860511 )
and bondedto ( attr rmsd >= 116.8749 and attr rmsd <= 117.6749 ))
3.0 3.0 0.5999999
peak 150 ppm1 1.777199 ppm2 7.820511 volume 26000000 weight 1.0
REMARK dnoe: 3.237922 position 7.822855 0.6255875
ASSI { 151 }
( attr rmsd >= 0.5855875 and attr rmsd <= 0.6655875 )
(( attr rmsd >= 7.782855 and attr rmsd <= 7.862855 )
and bondedto ( attr rmsd >= 116.8191 and attr rmsd <= 117.6191 ))
3.6 3.6 1.4
peak 151 ppm1 0.6255875 ppm2 7.822855 volume 14300001 weight 1.0
REMARK dnoe: 3.633598 position 7.827544 -0.0523911
ASSI { 152 }
( attr rmsd >= -0.0923911 and attr rmsd <= -0.0123911 )
(( attr rmsd >= 7.787544 and attr rmsd <= 7.867544 )
and bondedto ( attr rmsd >= 116.8952 and attr rmsd <= 117.6952 ))
4.2 4.2 1.8
peak 152 ppm1 -0.0523911 ppm2 7.827544 volume 7160000 weight 1.0
REMARK dnoe: 3.302593 position 7.818167 1.089937
ASSI { 153 }
( attr rmsd >= 1.049937 and attr rmsd <= 1.129937 )
(( attr rmsd >= 7.778167 and attr rmsd <= 7.858167 )
and bondedto ( attr rmsd >= 116.7501 and attr rmsd <= 117.5501 ))
3.6 3.6 1.4
peak 153 ppm1 1.089937 ppm2 7.818167 volume 12700000 weight 1.0
REMARK dnoe: 3.051762 position 9.423367 9.130751
ASSI { 154 }
( attr rmsd >= 9.090751 and attr rmsd <= 9.170751 )
(( attr rmsd >= 9.383367 and attr rmsd <= 9.463367 )
and bondedto ( attr rmsd >= 126.0759 and attr rmsd <= 126.8759 ))
3.6 3.6 1.4
peak 154 ppm1 9.130751 ppm2 9.423367 volume 20400000 weight 1.0
REMARK dnoe: 3.908847 position 9.41557 8.496685
ASSI { 155 }
( attr rmsd >= 8.456685 and attr rmsd <= 8.536685 )
(( attr rmsd >= 9.37557 and attr rmsd <= 9.45557 )
and bondedto ( attr rmsd >= 126.1372 and attr rmsd <= 126.9372 ))
4.2 4.2 1.8
peak 155 ppm1 8.496685 ppm2 9.41557 volume 4620000 weight 1.0
REMARK dnoe: 3.463892 position 9.425968 7.130177
ASSI { 156 }
( attr rmsd >= 7.090177 and attr rmsd <= 7.170177 )
(( attr rmsd >= 9.385968 and attr rmsd <= 9.465968 )
and bondedto ( attr rmsd >= 126.0573 and attr rmsd <= 126.8573 ))
3.6 3.6 1.4
peak 156 ppm1 7.130177 ppm2 9.425968 volume 9540000 weight 1.0
REMARK dnoe: 3.171294 position 9.416368 6.815782
ASSI { 157 }
( attr rmsd >= 6.775782 and attr rmsd <= 6.855782 )
(( attr rmsd >= 9.376368 and attr rmsd <= 9.456367 )
and bondedto ( attr rmsd >= 126.0458 and attr rmsd <= 126.8458 ))
3.6 3.6 1.4
peak 157 ppm1 6.815782 ppm2 9.416368 volume 16200000 weight 1.0
REMARK dnoe: 3.438533 position 9.423367 6.121954
ASSI { 158 }
( attr rmsd >= 6.081954 and attr rmsd <= 6.161954 )
(( attr rmsd >= 9.383367 and attr rmsd <= 9.463367 )
and bondedto ( attr rmsd >= 126.0569 and attr rmsd <= 126.8569 ))
3.6 3.6 1.4
peak 158 ppm1 6.121954 ppm2 9.423367 volume 9970000 weight 1.0
REMARK dnoe: 2.622993 position 9.417094 5.638849
ASSI { 159 }
( attr rmsd >= 5.598849 and attr rmsd <= 5.678849 )
(( attr rmsd >= 9.377094 and attr rmsd <= 9.457094 )
and bondedto ( attr rmsd >= 126.0278 and attr rmsd <= 126.8278 ))
3.0 3.0 0.5999999
peak 159 ppm1 5.638849 ppm2 9.417094 volume 50600000 weight 1.0
REMARK dnoe: 2.982769 position 9.418467 4.769514
ASSI { 160 }
( attr rmsd >= 4.729514 and attr rmsd <= 4.809514 )
(( attr rmsd >= 9.378467 and attr rmsd <= 9.458467 )
and bondedto ( attr rmsd >= 126.0226 and attr rmsd <= 126.8226 ))
3.0 3.0 0.5999999
peak 160 ppm1 4.769514 ppm2 9.418467 volume 23400000 weight 1.0
REMARK dnoe: 3.425487 position 8.501467 9.035728
ASSI { 161 }
( attr rmsd >= 8.995728 and attr rmsd <= 9.075728 )
(( attr rmsd >= 8.461467 and attr rmsd <= 8.541467 )
and bondedto ( attr rmsd >= 117.4292 and attr rmsd <= 118.2292 ))
3.6 3.6 1.4
peak 161 ppm1 9.035728 ppm2 8.501467 volume 10200000 weight 1.0
REMARK dnoe: 3.913094 position 8.499896 9.434221
ASSI { 162 }
( attr rmsd >= 9.394221 and attr rmsd <= 9.474221 )
(( attr rmsd >= 8.459896 and attr rmsd <= 8.539896 )
and bondedto ( attr rmsd >= 117.381 and attr rmsd <= 118.181 ))
4.2 4.2 1.8
peak 162 ppm1 9.434221 ppm2 8.499896 volume 4590000 weight 1.0
REMARK dnoe: 3.3433 position 8.999718 8.576772
ASSI { 163 }
( attr rmsd >= 8.536772 and attr rmsd <= 8.616772 )
(( attr rmsd >= 8.959718 and attr rmsd <= 9.039718 )
and bondedto ( attr rmsd >= 127.8853 and attr rmsd <= 128.6853 ))
3.6 3.6 1.4
peak 163 ppm1 8.576772 ppm2 8.999718 volume 11800000 weight 1.0
REMARK dnoe: 2.162808 position 8.500436 4.765857
ASSI { 164 }
( attr rmsd >= 4.725857 and attr rmsd <= 4.805857 )
(( attr rmsd >= 8.460436 and attr rmsd <= 8.540436 )
and bondedto ( attr rmsd >= 117.3277 and attr rmsd <= 118.1277 ))
2.5 2.5 0.2
peak 164 ppm1 4.765857 ppm2 8.500436 volume 161000000 weight 1.0
REMARK dnoe: 2.689929 position 8.500706 3.970982
ASSI { 165 }
( attr rmsd >= 3.930982 and attr rmsd <= 4.010982 )
(( attr rmsd >= 8.460706 and attr rmsd <= 8.540706 )
and bondedto ( attr rmsd >= 117.3402 and attr rmsd <= 118.1402 ))
3.0 3.0 0.5999999
peak 165 ppm1 3.970982 ppm2 8.500706 volume 43500000 weight 1.0
REMARK dnoe: 2.647998 position 8.500986 1.509412
ASSI { 166 }
( attr rmsd >= 1.469412 and attr rmsd <= 1.549412 )
(( attr rmsd >= 8.460986 and attr rmsd <= 8.540986 )
and bondedto ( attr rmsd >= 117.3359 and attr rmsd <= 118.1359 ))
3.0 3.0 0.5999999
peak 166 ppm1 1.509412 ppm2 8.500986 volume 47800000 weight 1.0
REMARK dnoe: 2.978541 position 8.500447 1.064991
ASSI { 167 }
( attr rmsd >= 1.024991 and attr rmsd <= 1.104991 )
(( attr rmsd >= 8.460447 and attr rmsd <= 8.540447 )
and bondedto ( attr rmsd >= 117.3396 and attr rmsd <= 118.1396 ))
3.0 3.0 0.5999999
peak 167 ppm1 1.064991 ppm2 8.500447 volume 23600000 weight 1.0
REMARK dnoe: 3.529102 position 8.499322 0.6816678
ASSI { 168 }
( attr rmsd >= 0.6416678 and attr rmsd <= 0.7216678 )
(( attr rmsd >= 8.459322 and attr rmsd <= 8.539322 )
and bondedto ( attr rmsd >= 117.4515 and attr rmsd <= 118.2515 ))
3.6 3.6 1.4
peak 168 ppm1 0.6816678 ppm2 8.499322 volume 8530000 weight 1.0
REMARK dnoe: 4.173143 position 8.501057 0.281323
ASSI { 169 }
( attr rmsd >= 0.241323 and attr rmsd <= 0.321323 )
(( attr rmsd >= 8.461057 and attr rmsd <= 8.541057 )
and bondedto ( attr rmsd >= 117.3494 and attr rmsd <= 118.1494 ))
4.2 4.2 1.8
peak 169 ppm1 0.281323 ppm2 8.501057 volume 3120000 weight 1.0
REMARK dnoe: 3.127785 position 8.505441 1.844157
ASSI { 170 }
( attr rmsd >= 1.804157 and attr rmsd <= 1.884157 )
(( attr rmsd >= 8.465441 and attr rmsd <= 8.545441 )
and bondedto ( attr rmsd >= 117.4492 and attr rmsd <= 118.2492 ))
3.6 3.6 1.4
peak 170 ppm1 1.844157 ppm2 8.505441 volume 17600000 weight 1.0
REMARK dnoe: 2.539769 position 9.010702 4.774226
ASSI { 171 }
( attr rmsd >= 4.734226 and attr rmsd <= 4.814226 )
(( attr rmsd >= 8.970702 and attr rmsd <= 9.050702 )
and bondedto ( attr rmsd >= 127.9849 and attr rmsd <= 128.7849 ))
3.0 3.0 0.5999999
peak 171 ppm1 4.774226 ppm2 9.010702 volume 61400004 weight 1.0
REMARK dnoe: 3.511486 position 9.013855 4.280712
ASSI { 172 }
( attr rmsd >= 4.240712 and attr rmsd <= 4.320712 )
(( attr rmsd >= 8.973855 and attr rmsd <= 9.053855 )
and bondedto ( attr rmsd >= 127.8802 and attr rmsd <= 128.6802 ))
3.6 3.6 1.4
peak 172 ppm1 4.280712 ppm2 9.013855 volume 8790000 weight 1.0
REMARK dnoe: 3.60162 position 9.004477 3.955649
ASSI { 173 }
( attr rmsd >= 3.915649 and attr rmsd <= 3.995649 )
(( attr rmsd >= 8.964477 and attr rmsd <= 9.044477 )
and bondedto ( attr rmsd >= 127.9072 and attr rmsd <= 128.7072 ))
4.2 4.2 1.8
peak 173 ppm1 3.955649 ppm2 9.004477 volume 7550000 weight 1.0
REMARK dnoe: 3.477387 position 9.01151 2.650778
ASSI { 174 }
( attr rmsd >= 2.610778 and attr rmsd <= 2.690778 )
(( attr rmsd >= 8.97151 and attr rmsd <= 9.05151 )
and bondedto ( attr rmsd >= 127.9238 and attr rmsd <= 128.7238 ))
3.6 3.6 1.4
peak 174 ppm1 2.650778 ppm2 9.01151 volume 9320000 weight 1.0
REMARK dnoe: 2.958011 position 9.01151 1.684896
ASSI { 175 }
( attr rmsd >= 1.644896 and attr rmsd <= 1.724896 )
(( attr rmsd >= 8.97151 and attr rmsd <= 9.05151 )
and bondedto ( attr rmsd >= 127.9148 and attr rmsd <= 128.7148 ))
3.0 3.0 0.5999999
peak 175 ppm1 1.684896 ppm2 9.01151 volume 24600000 weight 1.0
REMARK dnoe: 2.832634 position 9.013855 1.039436
ASSI { 176 }
( attr rmsd >= 0.999436 and attr rmsd <= 1.079436 )
(( attr rmsd >= 8.973855 and attr rmsd <= 9.053855 )
and bondedto ( attr rmsd >= 127.9468 and attr rmsd <= 128.7468 ))
3.0 3.0 0.5999999
peak 176 ppm1 1.039436 ppm2 9.013855 volume 31900000 weight 1.0
REMARK dnoe: 3.025166 position 9.002132 0.6261501
ASSI { 177 }
( attr rmsd >= 0.5861501 and attr rmsd <= 0.6661501 )
(( attr rmsd >= 8.962132 and attr rmsd <= 9.042132 )
and bondedto ( attr rmsd >= 127.9531 and attr rmsd <= 128.7531 ))
3.6 3.6 1.4
peak 177 ppm1 0.6261501 ppm2 9.002132 volume 21500000 weight 1.0
REMARK dnoe: 3.072177 position 9.009166 0.2964454
ASSI { 178 }
( attr rmsd >= 0.2564454 and attr rmsd <= 0.3364454 )
(( attr rmsd >= 8.969166 and attr rmsd <= 9.049166 )
and bondedto ( attr rmsd >= 127.9457 and attr rmsd <= 128.7457 ))
3.6 3.6 1.4
peak 178 ppm1 0.2964454 ppm2 9.009166 volume 19600000 weight 1.0
REMARK dnoe: 3.802678 position 7.890623 8.601929
ASSI { 179 }
( attr rmsd >= 8.561929 and attr rmsd <= 8.641929 )
(( attr rmsd >= 7.850623 and attr rmsd <= 7.930623 )
and bondedto ( attr rmsd >= 106.7239 and attr rmsd <= 107.5239 ))
4.2 4.2 1.8
peak 179 ppm1 8.601929 ppm2 7.890623 volume 5450000 weight 1.0
REMARK dnoe: 4.353646 position 7.888302 6.871299
ASSI { 180 }
( attr rmsd >= 6.831299 and attr rmsd <= 6.911299 )
(( attr rmsd >= 7.848302 and attr rmsd <= 7.928302 )
and bondedto ( attr rmsd >= 106.6441 and attr rmsd <= 107.4441 ))
4.2 4.2 1.8
peak 180 ppm1 6.871299 ppm2 7.888302 volume 2420000 weight 1.0
REMARK dnoe: 4.175376 position 7.892944 6.668548
ASSI { 181 }
( attr rmsd >= 6.628548 and attr rmsd <= 6.708548 )
(( attr rmsd >= 7.852944 and attr rmsd <= 7.932944 )
and bondedto ( attr rmsd >= 106.6441 and attr rmsd <= 107.4441 ))
4.2 4.2 1.8
peak 181 ppm1 6.668548 ppm2 7.892944 volume 3110000 weight 1.0
REMARK dnoe: 2.490248 position 7.894362 4.482103
ASSI { 182 }
( attr rmsd >= 4.442103 and attr rmsd <= 4.522103 )
(( attr rmsd >= 7.854362 and attr rmsd <= 7.934362 )
and bondedto ( attr rmsd >= 106.6642 and attr rmsd <= 107.4642 ))
2.5 2.5 0.2
peak 182 ppm1 4.482103 ppm2 7.894362 volume 69100000 weight 1.0
REMARK dnoe: 2.535656 position 7.894362 3.729101
ASSI { 183 }
( attr rmsd >= 3.689101 and attr rmsd <= 3.769101 )
(( attr rmsd >= 7.854362 and attr rmsd <= 7.934362 )
and bondedto ( attr rmsd >= 106.6642 and attr rmsd <= 107.4642 ))
3.0 3.0 0.5999999
peak 183 ppm1 3.729101 ppm2 7.894362 volume 62000000 weight 1.0
REMARK dnoe: 3.398274 position 7.896555 2.346206
ASSI { 184 }
( attr rmsd >= 2.306206 and attr rmsd <= 2.386206 )
(( attr rmsd >= 7.856555 and attr rmsd <= 7.936555 )
and bondedto ( attr rmsd >= 106.6841 and attr rmsd <= 107.4841 ))
3.6 3.6 1.4
peak 184 ppm1 2.346206 ppm2 7.896555 volume 10700000 weight 1.0
REMARK dnoe: 3.616952 position 7.90095 2.027637
ASSI { 185 }
( attr rmsd >= 1.987637 and attr rmsd <= 2.067637 )
(( attr rmsd >= 7.86095 and attr rmsd <= 7.94095 )
and bondedto ( attr rmsd >= 106.6441 and attr rmsd <= 107.4441 ))
4.2 4.2 1.8
peak 185 ppm1 2.027637 ppm2 7.90095 volume 7360000 weight 1.0
REMARK dnoe: 3.164815 position 7.90095 1.759733
ASSI { 186 }
( attr rmsd >= 1.719733 and attr rmsd <= 1.799733 )
(( attr rmsd >= 7.86095 and attr rmsd <= 7.94095 )
and bondedto ( attr rmsd >= 106.6241 and attr rmsd <= 107.4241 ))
3.6 3.6 1.4
peak 186 ppm1 1.759733 ppm2 7.90095 volume 16400000 weight 1.0
REMARK dnoe: 3.45371 position 7.905346 1.493282
ASSI { 187 }
( attr rmsd >= 1.453282 and attr rmsd <= 1.533282 )
(( attr rmsd >= 7.865346 and attr rmsd <= 7.945346 )
and bondedto ( attr rmsd >= 106.5843 and attr rmsd <= 107.3843 ))
3.6 3.6 1.4
peak 187 ppm1 1.493282 ppm2 7.905346 volume 9710000 weight 1.0
REMARK dnoe: 3.77768 position 7.90095 1.071907
ASSI { 188 }
( attr rmsd >= 1.031907 and attr rmsd <= 1.111907 )
(( attr rmsd >= 7.86095 and attr rmsd <= 7.94095 )
and bondedto ( attr rmsd >= 106.6241 and attr rmsd <= 107.4241 ))
4.2 4.2 1.8
peak 188 ppm1 1.071907 ppm2 7.90095 volume 0.567e+07 weight 1.0
REMARK dnoe: 3.540962 position 7.896555 0.6230083
ASSI { 189 }
( attr rmsd >= 0.5830083 and attr rmsd <= 0.6630083 )
(( attr rmsd >= 7.856555 and attr rmsd <= 7.936555 )
and bondedto ( attr rmsd >= 106.7239 and attr rmsd <= 107.5239 ))
3.6 3.6 1.4
peak 189 ppm1 0.6230083 ppm2 7.896555 volume 8360001 weight 1.0
REMARK dnoe: 3.51082 position 7.450059 4.087831
ASSI { 190 }
( attr rmsd >= 4.047831 and attr rmsd <= 4.127831 )
(( attr rmsd >= 7.410059 and attr rmsd <= 7.490059 )
and bondedto ( attr rmsd >= 122.2601 and attr rmsd <= 123.0601 ))
3.6 3.6 1.4
peak 190 ppm1 4.087831 ppm2 7.450059 volume 8800000 weight 1.0
REMARK dnoe: 3.032259 position 7.454982 1.429981
ASSI { 191 }
( attr rmsd >= 1.389981 and attr rmsd <= 1.469981 )
(( attr rmsd >= 7.414982 and attr rmsd <= 7.494982 )
and bondedto ( attr rmsd >= 122.2238 and attr rmsd <= 123.0238 ))
3.6 3.6 1.4
peak 191 ppm1 1.429981 ppm2 7.454982 volume 21200000 weight 1.0
REMARK dnoe: 3.570016 position 7.459894 1.120719
ASSI { 192 }
( attr rmsd >= 1.080719 and attr rmsd <= 1.160719 )
(( attr rmsd >= 7.419894 and attr rmsd <= 7.499894 )
and bondedto ( attr rmsd >= 122.2425 and attr rmsd <= 123.0425 ))
3.6 3.6 1.4
peak 192 ppm1 1.120719 ppm2 7.459894 volume 7960000 weight 1.0
REMARK dnoe: 3.357681 position 7.447597 0.743773
ASSI { 193 }
( attr rmsd >= 0.703773 and attr rmsd <= 0.783773 )
(( attr rmsd >= 7.407597 and attr rmsd <= 7.487597 )
and bondedto ( attr rmsd >= 122.166 and attr rmsd <= 122.966 ))
3.6 3.6 1.4
peak 193 ppm1 0.743773 ppm2 7.447597 volume 11500000 weight 1.0
REMARK dnoe: 3.491899 position 7.550321 4.413902
ASSI { 194 }
( attr rmsd >= 4.373902 and attr rmsd <= 4.453902 )
(( attr rmsd >= 7.510321 and attr rmsd <= 7.590321 )
and bondedto ( attr rmsd >= 111.6349 and attr rmsd <= 112.4349 ))
3.6 3.6 1.4
peak 194 ppm1 4.413902 ppm2 7.550321 volume 9090000 weight 1.0
REMARK dnoe: 3.491899 position 7.556674 3.71208
ASSI { 195 }
( attr rmsd >= 3.67208 and attr rmsd <= 3.75208 )
(( attr rmsd >= 7.516674 and attr rmsd <= 7.596674 )
and bondedto ( attr rmsd >= 111.6706 and attr rmsd <= 112.4706 ))
3.6 3.6 1.4
peak 195 ppm1 3.71208 ppm2 7.556674 volume 9090000 weight 1.0
REMARK dnoe: 3.553108 position 7.546792 1.469298
ASSI { 196 }
( attr rmsd >= 1.429298 and attr rmsd <= 1.509298 )
(( attr rmsd >= 7.506792 and attr rmsd <= 7.586792 )
and bondedto ( attr rmsd >= 111.6577 and attr rmsd <= 112.4577 ))
3.6 3.6 1.4
peak 196 ppm1 1.469298 ppm2 7.546792 volume 8190000 weight 1.0
REMARK dnoe: 3.324776 position 7.54453 2.69959
ASSI { 197 }
( attr rmsd >= 2.65959 and attr rmsd <= 2.73959 )
(( attr rmsd >= 7.50453 and attr rmsd <= 7.58453 )
and bondedto ( attr rmsd >= 111.6628 and attr rmsd <= 112.4628 ))
3.6 3.6 1.4
peak 197 ppm1 2.69959 ppm2 7.54453 volume 12200000 weight 1.0
REMARK dnoe: 3.576788 position 7.89244 6.721229
ASSI { 198 }
( attr rmsd >= 6.681229 and attr rmsd <= 6.761229 )
(( attr rmsd >= 7.85244 and attr rmsd <= 7.93244 )
and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 ))
3.6 3.6 1.4
peak 198 ppm1 6.721229 ppm2 7.89244 volume 7870000 weight 1.0
REMARK dnoe: 2.55311 position 7.902767 4.363636
ASSI { 199 }
( attr rmsd >= 4.323636 and attr rmsd <= 4.403636 )
(( attr rmsd >= 7.862767 and attr rmsd <= 7.942767 )
and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 ))
3.0 3.0 0.5999999
peak 199 ppm1 4.363636 ppm2 7.902767 volume 59500004 weight 1.0
REMARK dnoe: 3.029882 position 7.902767 3.726686
ASSI { 200 }
( attr rmsd >= 3.686686 and attr rmsd <= 3.766686 )
(( attr rmsd >= 7.862767 and attr rmsd <= 7.942767 )
and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 ))
3.6 3.6 1.4
peak 200 ppm1 3.726686 ppm2 7.902767 volume 21300000 weight 1.0
REMARK dnoe: 3.127785 position 7.892991 2.865392
ASSI { 201 }
( attr rmsd >= 2.825392 and attr rmsd <= 2.905392 )
(( attr rmsd >= 7.852991 and attr rmsd <= 7.932991 )
and bondedto ( attr rmsd >= 122.622 and attr rmsd <= 123.422 ))
3.6 3.6 1.4
peak 201 ppm1 2.865392 ppm2 7.892991 volume 17600000 weight 1.0
REMARK dnoe: 3.124833 position 7.900329 2.506499
ASSI { 202 }
( attr rmsd >= 2.466499 and attr rmsd <= 2.546499 )
(( attr rmsd >= 7.860329 and attr rmsd <= 7.940329 )
and bondedto ( attr rmsd >= 122.6611 and attr rmsd <= 123.4611 ))
3.6 3.6 1.4
peak 202 ppm1 2.506499 ppm2 7.900329 volume 17700000 weight 1.0
REMARK dnoe: 2.97021 position 7.900329 1.606005
ASSI { 203 }
( attr rmsd >= 1.566005 and attr rmsd <= 1.646005 )
(( attr rmsd >= 7.860329 and attr rmsd <= 7.940329 )
and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 ))
3.0 3.0 0.5999999
peak 203 ppm1 1.606005 ppm2 7.900329 volume 24000000 weight 1.0
REMARK dnoe: 3.813246 position 7.350606 6.757029
ASSI { 204 }
( attr rmsd >= 6.717029 and attr rmsd <= 6.797029 )
(( attr rmsd >= 7.310606 and attr rmsd <= 7.390606 )
and bondedto ( attr rmsd >= 121.3976 and attr rmsd <= 122.1976 ))
4.2 4.2 1.8
peak 204 ppm1 6.757029 ppm2 7.350606 volume 5360000 weight 1.0
REMARK dnoe: 3.000113 position 7.361941 4.356627
ASSI { 205 }
( attr rmsd >= 4.316627 and attr rmsd <= 4.396627 )
(( attr rmsd >= 7.321941 and attr rmsd <= 7.401941 )
and bondedto ( attr rmsd >= 121.3765 and attr rmsd <= 122.1765 ))
3.6 3.6 1.4
peak 205 ppm1 4.356627 ppm2 7.361941 volume 22600000 weight 1.0
REMARK dnoe: 3.436811 position 7.364251 4.128226
ASSI { 206 }
( attr rmsd >= 4.088226 and attr rmsd <= 4.168226 )
(( attr rmsd >= 7.324251 and attr rmsd <= 7.404251 )
and bondedto ( attr rmsd >= 121.4097 and attr rmsd <= 122.2097 ))
3.6 3.6 1.4
peak 206 ppm1 4.128226 ppm2 7.364251 volume 10000000 weight 1.0
REMARK dnoe: 3.387801 position 7.361941 3.662283
ASSI { 207 }
( attr rmsd >= 3.622283 and attr rmsd <= 3.702283 )
(( attr rmsd >= 7.321941 and attr rmsd <= 7.401941 )
and bondedto ( attr rmsd >= 121.4013 and attr rmsd <= 122.2013 ))
3.6 3.6 1.4
peak 207 ppm1 3.662283 ppm2 7.361941 volume 10900000 weight 1.0
REMARK dnoe: 3.814434 position 7.361941 2.854256
ASSI { 208 }
( attr rmsd >= 2.814256 and attr rmsd <= 2.894256 )
(( attr rmsd >= 7.321941 and attr rmsd <= 7.401941 )
and bondedto ( attr rmsd >= 121.3837 and attr rmsd <= 122.1837 ))
4.2 4.2 1.8
peak 208 ppm1 2.854256 ppm2 7.361941 volume 5350001 weight 1.0
REMARK dnoe: 3.60481 position 7.35962 2.506897
ASSI { 209 }
( attr rmsd >= 2.466897 and attr rmsd <= 2.546897 )
(( attr rmsd >= 7.31962 and attr rmsd <= 7.39962 )
and bondedto ( attr rmsd >= 121.3837 and attr rmsd <= 122.1837 ))
4.2 4.2 1.8
peak 209 ppm1 2.506897 ppm2 7.35962 volume 7510000 weight 1.0
REMARK dnoe: 3.449577 position 7.366572 0.907676
ASSI { 210 }
( attr rmsd >= 0.867676 and attr rmsd <= 0.947676 )
(( attr rmsd >= 7.326572 and attr rmsd <= 7.406572 )
and bondedto ( attr rmsd >= 121.4071 and attr rmsd <= 122.2071 ))
3.6 3.6 1.4
peak 210 ppm1 0.907676 ppm2 7.366572 volume 9780000 weight 1.0
REMARK dnoe: 2.553826 position 8.061642 4.1422
ASSI { 211 }
( attr rmsd >= 4.1022 and attr rmsd <= 4.1822 )
(( attr rmsd >= 8.021642 and attr rmsd <= 8.101642 )
and bondedto ( attr rmsd >= 125.5628 and attr rmsd <= 126.3628 ))
3.0 3.0 0.5999999
peak 211 ppm1 4.1422 ppm2 8.061642 volume 59400000 weight 1.0
REMARK dnoe: 2.576742 position 8.060446 3.776014
ASSI { 212 }
( attr rmsd >= 3.736014 and attr rmsd <= 3.816014 )
(( attr rmsd >= 8.020446 and attr rmsd <= 8.100446 )
and bondedto ( attr rmsd >= 125.5491 and attr rmsd <= 126.3491 ))
3.0 3.0 0.5999999
peak 212 ppm1 3.776014 ppm2 8.060446 volume 56300004 weight 1.0
REMARK dnoe: 2.972278 position 8.055393 1.683115
ASSI { 213 }
( attr rmsd >= 1.643115 and attr rmsd <= 1.723115 )
(( attr rmsd >= 8.015393 and attr rmsd <= 8.095393 )
and bondedto ( attr rmsd >= 125.518 and attr rmsd <= 126.318 ))
3.0 3.0 0.5999999
peak 213 ppm1 1.683115 ppm2 8.055393 volume 23900000 weight 1.0
REMARK dnoe: 2.618699 position 8.062966 1.214827
ASSI { 214 }
( attr rmsd >= 1.174827 and attr rmsd <= 1.254827 )
(( attr rmsd >= 8.022966 and attr rmsd <= 8.102966 )
and bondedto ( attr rmsd >= 125.5794 and attr rmsd <= 126.3794 ))
3.0 3.0 0.5999999
peak 214 ppm1 1.214827 ppm2 8.062966 volume 51099996 weight 1.0
REMARK dnoe: 2.650778 position 8.062966 0.9246972
ASSI { 215 }
( attr rmsd >= 0.8846972 and attr rmsd <= 0.9646972 )
(( attr rmsd >= 8.022966 and attr rmsd <= 8.102966 )
and bondedto ( attr rmsd >= 125.572 and attr rmsd <= 126.372 ))
3.0 3.0 0.5999999
peak 215 ppm1 0.9246972 ppm2 8.062966 volume 47500000 weight 1.0
REMARK dnoe: 3.049276 position 8.060446 0.4544868
ASSI { 216 }
( attr rmsd >= 0.4144868 and attr rmsd <= 0.4944868 )
(( attr rmsd >= 8.020446 and attr rmsd <= 8.100446 )
and bondedto ( attr rmsd >= 125.5395 and attr rmsd <= 126.3395 ))
3.6 3.6 1.4
peak 216 ppm1 0.4544868 ppm2 8.060446 volume 20500000 weight 1.0
REMARK dnoe: 2.9179 position 8.057925 0.1624808
ASSI { 217 }
( attr rmsd >= 0.1224808 and attr rmsd <= 0.2024808 )
(( attr rmsd >= 8.017925 and attr rmsd <= 8.097925 )
and bondedto ( attr rmsd >= 125.578 and attr rmsd <= 126.378 ))
3.0 3.0 0.5999999
peak 217 ppm1 0.1624808 ppm2 8.057925 volume 26699998 weight 1.0
REMARK dnoe: 3.257185 position 8.060446 -0.0547357
ASSI { 218 }
( attr rmsd >= -0.0947357 and attr rmsd <= -0.0147357 )
(( attr rmsd >= 8.020446 and attr rmsd <= 8.100446 )
and bondedto ( attr rmsd >= 125.578 and attr rmsd <= 126.378 ))
3.6 3.6 1.4
peak 218 ppm1 -0.0547357 ppm2 8.060446 volume 13800000 weight 1.0
REMARK dnoe: 3.277281 position 8.383915 4.240058
ASSI { 219 }
( attr rmsd >= 4.200058 and attr rmsd <= 4.280058 )
(( attr rmsd >= 8.343915 and attr rmsd <= 8.423915 )
and bondedto ( attr rmsd >= 127.6152 and attr rmsd <= 128.4152 ))
3.6 3.6 1.4
peak 219 ppm1 4.240058 ppm2 8.383915 volume 13300000 weight 1.0
REMARK dnoe: 2.857033 position 8.391148 3.74556
ASSI { 220 }
( attr rmsd >= 3.70556 and attr rmsd <= 3.78556 )
(( attr rmsd >= 8.351148 and attr rmsd <= 8.431148 )
and bondedto ( attr rmsd >= 127.6109 and attr rmsd <= 128.4109 ))
3.0 3.0 0.5999999
peak 220 ppm1 3.74556 ppm2 8.391148 volume 30300000 weight 1.0
REMARK dnoe: 2.873058 position 8.391148 1.728621
ASSI { 221 }
( attr rmsd >= 1.688621 and attr rmsd <= 1.768621 )
(( attr rmsd >= 8.351148 and attr rmsd <= 8.431148 )
and bondedto ( attr rmsd >= 127.6047 and attr rmsd <= 128.4047 ))
3.0 3.0 0.5999999
peak 221 ppm1 1.728621 ppm2 8.391148 volume 29300002 weight 1.0
REMARK dnoe: 3.074798 position 8.388733 1.352823
ASSI { 222 }
( attr rmsd >= 1.312823 and attr rmsd <= 1.392823 )
(( attr rmsd >= 8.348733 and attr rmsd <= 8.428733 )
and bondedto ( attr rmsd >= 127.5752 and attr rmsd <= 128.3752 ))
3.6 3.6 1.4
peak 222 ppm1 1.352823 ppm2 8.388733 volume 19500000 weight 1.0
REMARK dnoe: 3.320255 position 8.388733 0.1854806
ASSI { 223 }
( attr rmsd >= 0.1454806 and attr rmsd <= 0.2254806 )
(( attr rmsd >= 8.348733 and attr rmsd <= 8.428733 )
and bondedto ( attr rmsd >= 127.5552 and attr rmsd <= 128.3552 ))
3.6 3.6 1.4
peak 223 ppm1 0.1854806 ppm2 8.388733 volume 12300000 weight 1.0
REMARK dnoe: 3.03465 position 7.758324 4.254102
ASSI { 224 }
( attr rmsd >= 4.214102 and attr rmsd <= 4.294102 )
(( attr rmsd >= 7.718324 and attr rmsd <= 7.798324 )
and bondedto ( attr rmsd >= 119.5862 and attr rmsd <= 120.3862 ))
3.6 3.6 1.4
peak 224 ppm1 4.254102 ppm2 7.758324 volume 21100000 weight 1.0
REMARK dnoe: 3.01132 position 7.73414 1.613436
ASSI { 225 }
( attr rmsd >= 1.573436 and attr rmsd <= 1.653436 )
(( attr rmsd >= 7.69414 and attr rmsd <= 7.77414 )
and bondedto ( attr rmsd >= 119.5403 and attr rmsd <= 120.3403 ))
3.6 3.6 1.4
peak 225 ppm1 1.613436 ppm2 7.73414 volume 22100000 weight 1.0
REMARK dnoe: 2.98704 position 7.746238 1.066843
ASSI { 226 }
( attr rmsd >= 1.026843 and attr rmsd <= 1.106843 )
(( attr rmsd >= 7.706238 and attr rmsd <= 7.786238 )
and bondedto ( attr rmsd >= 119.6256 and attr rmsd <= 120.4256 ))
3.0 3.0 0.5999999
peak 226 ppm1 1.066843 ppm2 7.746238 volume 23200000 weight 1.0
REMARK dnoe: 3.362571 position 8.666015 6.878778
ASSI { 227 }
( attr rmsd >= 6.838778 and attr rmsd <= 6.918778 )
(( attr rmsd >= 8.626015 and attr rmsd <= 8.706015 )
and bondedto ( attr rmsd >= 124.36 and attr rmsd <= 125.16 ))
3.6 3.6 1.4
peak 227 ppm1 6.878778 ppm2 8.666015 volume 11400000 weight 1.0
REMARK dnoe: 2.523591 position 8.663166 4.722859
ASSI { 228 }
( attr rmsd >= 4.682859 and attr rmsd <= 4.762859 )
(( attr rmsd >= 8.623166 and attr rmsd <= 8.703166 )
and bondedto ( attr rmsd >= 124.3377 and attr rmsd <= 125.1377 ))
3.0 3.0 0.5999999
peak 228 ppm1 4.722859 ppm2 8.663166 volume 63800000 weight 1.0
REMARK dnoe: 2.691996 position 8.662698 4.253938
ASSI { 229 }
( attr rmsd >= 4.213938 and attr rmsd <= 4.293938 )
(( attr rmsd >= 8.622698 and attr rmsd <= 8.702698 )
and bondedto ( attr rmsd >= 124.3299 and attr rmsd <= 125.1299 ))
3.0 3.0 0.5999999
peak 229 ppm1 4.253938 ppm2 8.662698 volume 43300000 weight 1.0
REMARK dnoe: 2.685828 position 8.671583 1.536936
ASSI { 230 }
( attr rmsd >= 1.496936 and attr rmsd <= 1.576936 )
(( attr rmsd >= 8.631583 and attr rmsd <= 8.711583 )
and bondedto ( attr rmsd >= 124.3364 and attr rmsd <= 125.1364 ))
3.0 3.0 0.5999999
peak 230 ppm1 1.536936 ppm2 8.671583 volume 43900000 weight 1.0
REMARK dnoe: 3.004561 position 8.668113 1.069445
ASSI { 231 }
( attr rmsd >= 1.029445 and attr rmsd <= 1.109445 )
(( attr rmsd >= 8.628113 and attr rmsd <= 8.708113 )
and bondedto ( attr rmsd >= 124.3213 and attr rmsd <= 125.1213 ))
3.6 3.6 1.4
peak 231 ppm1 1.069445 ppm2 8.668113 volume 22400000 weight 1.0
REMARK dnoe: 3.771058 position 8.671677 0.4095664
ASSI { 232 }
( attr rmsd >= 0.3695664 and attr rmsd <= 0.4495664 )
(( attr rmsd >= 8.631677 and attr rmsd <= 8.711677 )
and bondedto ( attr rmsd >= 124.3567 and attr rmsd <= 125.1567 ))
4.2 4.2 1.8
peak 232 ppm1 0.4095664 ppm2 8.671677 volume 5730000 weight 1.0
REMARK dnoe: 3.253268 position 8.662592 -0.2001877
ASSI { 233 }
( attr rmsd >= -0.2401877 and attr rmsd <= -0.1601877 )
(( attr rmsd >= 8.622592 and attr rmsd <= 8.702592 )
and bondedto ( attr rmsd >= 124.319 and attr rmsd <= 125.119 ))
3.6 3.6 1.4
peak 233 ppm1 -0.2001877 ppm2 8.662592 volume 13900000 weight 1.0
REMARK dnoe: 2.586794 position 8.665804 1.781067
ASSI { 234 }
( attr rmsd >= 1.741067 and attr rmsd <= 1.821067 )
(( attr rmsd >= 8.625804 and attr rmsd <= 8.705804 )
and bondedto ( attr rmsd >= 124.3364 and attr rmsd <= 125.1364 ))
3.0 3.0 0.5999999
peak 234 ppm1 1.781067 ppm2 8.665804 volume 55000000 weight 1.0
REMARK dnoe: 3.553831 position 8.675932 0.7490947
ASSI { 235 }
( attr rmsd >= 0.7090947 and attr rmsd <= 0.7890947 )
(( attr rmsd >= 8.635932 and attr rmsd <= 8.715932 )
and bondedto ( attr rmsd >= 124.3596 and attr rmsd <= 125.1596 ))
3.6 3.6 1.4
peak 235 ppm1 0.7490947 ppm2 8.675932 volume 8180000 weight 1.0
REMARK dnoe: 3.684185 position 8.715964 7.162836
ASSI { 236 }
( attr rmsd >= 7.122836 and attr rmsd <= 7.202836 )
(( attr rmsd >= 8.675964 and attr rmsd <= 8.755964 )
and bondedto ( attr rmsd >= 111.0229 and attr rmsd <= 111.8229 ))
4.2 4.2 1.8
peak 236 ppm1 7.162836 ppm2 8.715964 volume 6590000 weight 1.0
REMARK dnoe: 2.912472 position 8.716762 4.48351
ASSI { 237 }
( attr rmsd >= 4.44351 and attr rmsd <= 4.52351 )
(( attr rmsd >= 8.676762 and attr rmsd <= 8.756762 )
and bondedto ( attr rmsd >= 111.038 and attr rmsd <= 111.838 ))
3.0 3.0 0.5999999
peak 237 ppm1 4.48351 ppm2 8.716762 volume 27000002 weight 1.0
REMARK dnoe: 3.145919 position 8.722575 4.092567
ASSI { 238 }
( attr rmsd >= 4.052567 and attr rmsd <= 4.132567 )
(( attr rmsd >= 8.682575 and attr rmsd <= 8.762575 )
and bondedto ( attr rmsd >= 111.0403 and attr rmsd <= 111.8403 ))
3.6 3.6 1.4
peak 238 ppm1 4.092567 ppm2 8.722575 volume 17000000 weight 1.0
REMARK dnoe: 3.110358 position 8.710958 3.602077
ASSI { 239 }
( attr rmsd >= 3.562077 and attr rmsd <= 3.642077 )
(( attr rmsd >= 8.670958 and attr rmsd <= 8.750957 )
and bondedto ( attr rmsd >= 111.039 and attr rmsd <= 111.839 ))
3.6 3.6 1.4
peak 239 ppm1 3.602077 ppm2 8.710958 volume 18200000 weight 1.0
REMARK dnoe: 3.403596 position 8.712893 2.218736
ASSI { 240 }
( attr rmsd >= 2.178736 and attr rmsd <= 2.258736 )
(( attr rmsd >= 8.672893 and attr rmsd <= 8.752892 )
and bondedto ( attr rmsd >= 111.0433 and attr rmsd <= 111.8433 ))
3.6 3.6 1.4
peak 240 ppm1 2.218736 ppm2 8.712893 volume 10600000 weight 1.0
REMARK dnoe: 3.635292 position 8.710958 1.912171
ASSI { 241 }
( attr rmsd >= 1.872171 and attr rmsd <= 1.952171 )
(( attr rmsd >= 8.670958 and attr rmsd <= 8.750957 )
and bondedto ( attr rmsd >= 111.0657 and attr rmsd <= 111.8657 ))
4.2 4.2 1.8
peak 241 ppm1 1.912171 ppm2 8.710958 volume 7140000 weight 1.0
REMARK dnoe: 3.827664 position 8.709024 1.161115
ASSI { 242 }
( attr rmsd >= 1.121115 and attr rmsd <= 1.201115 )
(( attr rmsd >= 8.669024 and attr rmsd <= 8.749024 )
and bondedto ( attr rmsd >= 111.0761 and attr rmsd <= 111.8761 ))
4.2 4.2 1.8
peak 242 ppm1 1.161115 ppm2 8.709024 volume 5240000 weight 1.0
REMARK dnoe: 3.403596 position 7.137843 8.708907
ASSI { 243 }
( attr rmsd >= 8.668907 and attr rmsd <= 8.748907 )
(( attr rmsd >= 7.097843 and attr rmsd <= 7.177843 )
and bondedto ( attr rmsd >= 121.1749 and attr rmsd <= 121.9749 ))
3.6 3.6 1.4
peak 243 ppm1 8.708907 ppm2 7.137843 volume 10600000 weight 1.0
REMARK dnoe: 3.609632 position 7.137832 8.149981
ASSI { 244 }
( attr rmsd >= 8.109981 and attr rmsd <= 8.189981 )
(( attr rmsd >= 7.097832 and attr rmsd <= 7.177832 )
and bondedto ( attr rmsd >= 121.1841 and attr rmsd <= 121.9841 ))
4.2 4.2 1.8
peak 244 ppm1 8.149981 ppm2 7.137832 volume 7450000 weight 1.0
REMARK dnoe: 3.554556 position 7.138359 6.858264
ASSI { 245 }
( attr rmsd >= 6.818264 and attr rmsd <= 6.898264 )
(( attr rmsd >= 7.098359 and attr rmsd <= 7.178359 )
and bondedto ( attr rmsd >= 121.1958 and attr rmsd <= 121.9958 ))
3.6 3.6 1.4
peak 245 ppm1 6.858264 ppm2 7.138359 volume 0.817e+07 weight 1.0
REMARK dnoe: 3.61044 position 7.141232 4.447428
ASSI { 246 }
( attr rmsd >= 4.407428 and attr rmsd <= 4.487428 )
(( attr rmsd >= 7.101232 and attr rmsd <= 7.181232 )
and bondedto ( attr rmsd >= 121.1733 and attr rmsd <= 121.9733 ))
4.2 4.2 1.8
peak 246 ppm1 4.447428 ppm2 7.141232 volume 7440000 weight 1.0
REMARK dnoe: 3.01132 position 7.136484 4.080586
ASSI { 247 }
( attr rmsd >= 4.040586 and attr rmsd <= 4.120586 )
(( attr rmsd >= 7.096484 and attr rmsd <= 7.176484 )
and bondedto ( attr rmsd >= 121.1673 and attr rmsd <= 121.9673 ))
3.6 3.6 1.4
peak 247 ppm1 4.080586 ppm2 7.136484 volume 22100000 weight 1.0
REMARK dnoe: 2.754855 position 7.138312 3.832727
ASSI { 248 }
( attr rmsd >= 3.792727 and attr rmsd <= 3.872727 )
(( attr rmsd >= 7.098312 and attr rmsd <= 7.178312 )
and bondedto ( attr rmsd >= 121.1694 and attr rmsd <= 121.9694 ))
3.0 3.0 0.5999999
peak 248 ppm1 3.832727 ppm2 7.138312 volume 37700000 weight 1.0
REMARK dnoe: 3.324776 position 7.138301 3.598396
ASSI { 249 }
( attr rmsd >= 3.558396 and attr rmsd <= 3.638396 )
(( attr rmsd >= 7.098301 and attr rmsd <= 7.178301 )
and bondedto ( attr rmsd >= 121.1618 and attr rmsd <= 121.9618 ))
3.6 3.6 1.4
peak 249 ppm1 3.598396 ppm2 7.138301 volume 12200000 weight 1.0
REMARK dnoe: 2.559604 position 7.138758 1.863312
ASSI { 250 }
( attr rmsd >= 1.823312 and attr rmsd <= 1.903312 )
(( attr rmsd >= 7.098758 and attr rmsd <= 7.178758 )
and bondedto ( attr rmsd >= 121.1745 and attr rmsd <= 121.9745 ))
3.0 3.0 0.5999999
peak 250 ppm1 1.863312 ppm2 7.138758 volume 58600004 weight 1.0
REMARK dnoe: 3.724845 position 7.137433 1.160037
ASSI { 251 }
( attr rmsd >= 1.120037 and attr rmsd <= 1.200037 )
(( attr rmsd >= 7.097433 and attr rmsd <= 7.177433 )
and bondedto ( attr rmsd >= 121.1394 and attr rmsd <= 121.9394 ))
4.2 4.2 1.8
peak 251 ppm1 1.160037 ppm2 7.137433 volume 6170000 weight 1.0
REMARK dnoe: 2.600366 position 7.138558 0.7147479
ASSI { 252 }
( attr rmsd >= 0.6747479 and attr rmsd <= 0.7547479 )
(( attr rmsd >= 7.098558 and attr rmsd <= 7.178558 )
and bondedto ( attr rmsd >= 121.1757 and attr rmsd <= 121.9757 ))
3.0 3.0 0.5999999
peak 252 ppm1 0.7147479 ppm2 7.138558 volume 53300000 weight 1.0
REMARK dnoe: 3.124833 position 7.138618 0.1049705
ASSI { 253 }
( attr rmsd >= 0.0649705 and attr rmsd <= 0.1449705 )
(( attr rmsd >= 7.098618 and attr rmsd <= 7.178618 )
and bondedto ( attr rmsd >= 121.1796 and attr rmsd <= 121.9796 ))
3.6 3.6 1.4
peak 253 ppm1 0.1049705 ppm2 7.138618 volume 17700000 weight 1.0
REMARK dnoe: 2.762231 position 8.116608 4.063073
ASSI { 254 }
( attr rmsd >= 4.023073 and attr rmsd <= 4.103073 )
(( attr rmsd >= 8.076608 and attr rmsd <= 8.156608 )
and bondedto ( attr rmsd >= 125.5628 and attr rmsd <= 126.3628 ))
3.0 3.0 0.5999999
peak 254 ppm1 4.063073 ppm2 8.116608 volume 37100000 weight 1.0
REMARK dnoe: 2.387841 position 8.111614 3.840511
ASSI { 255 }
( attr rmsd >= 3.800511 and attr rmsd <= 3.880511 )
(( attr rmsd >= 8.071614 and attr rmsd <= 8.151614 )
and bondedto ( attr rmsd >= 125.5491 and attr rmsd <= 126.3491 ))
2.5 2.5 0.2
peak 255 ppm1 3.840511 ppm2 8.111614 volume 88900000 weight 1.0
REMARK dnoe: 2.686849 position 8.111614 1.723745
ASSI { 256 }
( attr rmsd >= 1.683745 and attr rmsd <= 1.763745 )
(( attr rmsd >= 8.071614 and attr rmsd <= 8.151614 )
and bondedto ( attr rmsd >= 125.5446 and attr rmsd <= 126.3446 ))
3.0 3.0 0.5999999
peak 256 ppm1 1.723745 ppm2 8.111614 volume 43800000 weight 1.0
REMARK dnoe: 2.50309 position 8.119104 0.7593403
ASSI { 257 }
( attr rmsd >= 0.7193403 and attr rmsd <= 0.7993403 )
(( attr rmsd >= 8.079104 and attr rmsd <= 8.159104 )
and bondedto ( attr rmsd >= 125.5468 and attr rmsd <= 126.3468 ))
3.0 3.0 0.5999999
peak 257 ppm1 0.7593403 ppm2 8.119104 volume 67000000 weight 1.0
REMARK dnoe: 2.850795 position 8.121602 0.1064944
ASSI { 258 }
( attr rmsd >= 0.0664944 and attr rmsd <= 0.1464944 )
(( attr rmsd >= 8.081602 and attr rmsd <= 8.161602 )
and bondedto ( attr rmsd >= 125.5589 and attr rmsd <= 126.3589 ))
3.0 3.0 0.5999999
peak 258 ppm1 0.1064944 ppm2 8.121602 volume 30700002 weight 1.0
REMARK dnoe: 3.348046 position 9.234987 6.885201
ASSI { 259 }
( attr rmsd >= 6.845201 and attr rmsd <= 6.925201 )
(( attr rmsd >= 9.194987 and attr rmsd <= 9.274987 )
and bondedto ( attr rmsd >= 128.2742 and attr rmsd <= 129.0742 ))
3.6 3.6 1.4
peak 259 ppm1 6.885201 ppm2 9.234987 volume 11700000 weight 1.0
REMARK dnoe: 3.027518 position 9.237179 6.578637
ASSI { 260 }
( attr rmsd >= 6.538637 and attr rmsd <= 6.618637 )
(( attr rmsd >= 9.197179 and attr rmsd <= 9.277179 )
and bondedto ( attr rmsd >= 128.2818 and attr rmsd <= 129.0818 ))
3.6 3.6 1.4
peak 260 ppm1 6.578637 ppm2 9.237179 volume 21400000 weight 1.0
REMARK dnoe: 4.056225 position 9.237179 8.126185
ASSI { 261 }
( attr rmsd >= 8.086185 and attr rmsd <= 8.166185 )
(( attr rmsd >= 9.197179 and attr rmsd <= 9.277179 )
and bondedto ( attr rmsd >= 128.2266 and attr rmsd <= 129.0266 ))
4.2 4.2 1.8
peak 261 ppm1 8.126185 ppm2 9.237179 volume 3700000 weight 1.0
REMARK dnoe: 3.049276 position 9.237179 9.492177
ASSI { 262 }
( attr rmsd >= 9.452177 and attr rmsd <= 9.532177 )
(( attr rmsd >= 9.197179 and attr rmsd <= 9.277179 )
and bondedto ( attr rmsd >= 128.2418 and attr rmsd <= 129.0418 ))
3.6 3.6 1.4
peak 262 ppm1 9.492177 ppm2 9.237179 volume 20500000 weight 1.0
REMARK dnoe: 3.750611 position 9.236885 4.990482
ASSI { 263 }
( attr rmsd >= 4.950482 and attr rmsd <= 5.030482 )
(( attr rmsd >= 9.196885 and attr rmsd <= 9.276885 )
and bondedto ( attr rmsd >= 128.2318 and attr rmsd <= 129.0318 ))
4.2 4.2 1.8
peak 263 ppm1 4.990482 ppm2 9.236885 volume 5920000 weight 1.0
REMARK dnoe: 3.171294 position 9.229454 4.418849
ASSI { 264 }
( attr rmsd >= 4.378849 and attr rmsd <= 4.458849 )
(( attr rmsd >= 9.189454 and attr rmsd <= 9.269454 )
and bondedto ( attr rmsd >= 128.2467 and attr rmsd <= 129.0467 ))
3.6 3.6 1.4
peak 264 ppm1 4.418849 ppm2 9.229454 volume 16200000 weight 1.0
REMARK dnoe: 2.563998 position 9.234236 4.037471
ASSI { 265 }
( attr rmsd >= 3.997471 and attr rmsd <= 4.077471 )
(( attr rmsd >= 9.194236 and attr rmsd <= 9.274236 )
and bondedto ( attr rmsd >= 128.2449 and attr rmsd <= 129.0449 ))
3.0 3.0 0.5999999
peak 265 ppm1 4.037471 ppm2 9.234236 volume 58000000 weight 1.0
REMARK dnoe: 3.168043 position 9.236628 2.073284
ASSI { 266 }
( attr rmsd >= 2.033284 and attr rmsd <= 2.113284 )
(( attr rmsd >= 9.196628 and attr rmsd <= 9.276628 )
and bondedto ( attr rmsd >= 128.2342 and attr rmsd <= 129.0342 ))
3.6 3.6 1.4
peak 266 ppm1 2.073284 ppm2 9.236628 volume 16300000 weight 1.0
REMARK dnoe: 3.277281 position 9.226418 1.711788
ASSI { 267 }
( attr rmsd >= 1.671788 and attr rmsd <= 1.751788 )
(( attr rmsd >= 9.186418 and attr rmsd <= 9.266418 )
and bondedto ( attr rmsd >= 128.2742 and attr rmsd <= 129.0742 ))
3.6 3.6 1.4
peak 267 ppm1 1.711788 ppm2 9.226418 volume 13300000 weight 1.0
REMARK dnoe: 3.006802 position 9.233685 1.181605
ASSI { 268 }
( attr rmsd >= 1.141605 and attr rmsd <= 1.221605 )
(( attr rmsd >= 9.193685 and attr rmsd <= 9.273685 )
and bondedto ( attr rmsd >= 128.2394 and attr rmsd <= 129.0394 ))
3.6 3.6 1.4
peak 268 ppm1 1.181605 ppm2 9.233685 volume 22300000 weight 1.0
REMARK dnoe: 2.528903 position 9.23283 0.7876382
ASSI { 269 }
( attr rmsd >= 0.7476382 and attr rmsd <= 0.8276382 )
(( attr rmsd >= 9.19283 and attr rmsd <= 9.27283 )
and bondedto ( attr rmsd >= 128.2398 and attr rmsd <= 129.0398 ))
3.0 3.0 0.5999999
peak 269 ppm1 0.7876382 ppm2 9.23283 volume 63000000 weight 1.0
REMARK dnoe: 3.145919 position 9.041285 6.585928
ASSI { 270 }
( attr rmsd >= 6.545928 and attr rmsd <= 6.625928 )
(( attr rmsd >= 9.001285 and attr rmsd <= 9.081285 )
and bondedto ( attr rmsd >= 118.368 and attr rmsd <= 119.168 ))
3.6 3.6 1.4
peak 270 ppm1 6.585928 ppm2 9.041285 volume 17000000 weight 1.0
REMARK dnoe: 3.44899 position 9.028425 6.896971
ASSI { 271 }
( attr rmsd >= 6.856971 and attr rmsd <= 6.936971 )
(( attr rmsd >= 8.988425 and attr rmsd <= 9.068425 )
and bondedto ( attr rmsd >= 118.3478 and attr rmsd <= 119.1478 ))
3.6 3.6 1.4
peak 271 ppm1 6.896971 ppm2 9.028425 volume 9790000 weight 1.0
REMARK dnoe: 3.198175 position 9.037628 8.784962
ASSI { 272 }
( attr rmsd >= 8.744962 and attr rmsd <= 8.824962 )
(( attr rmsd >= 8.997628 and attr rmsd <= 9.077628 )
and bondedto ( attr rmsd >= 118.3879 and attr rmsd <= 119.1879 ))
3.6 3.6 1.4
peak 272 ppm1 8.784962 ppm2 9.037628 volume 15400000 weight 1.0
REMARK dnoe: 3.315778 position 9.039995 5.192366
ASSI { 274 }
( attr rmsd >= 5.152366 and attr rmsd <= 5.232366 )
(( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
and bondedto ( attr rmsd >= 118.3539 and attr rmsd <= 119.1539 ))
3.6 3.6 1.4
peak 274 ppm1 5.192366 ppm2 9.039995 volume 12400000 weight 1.0
REMARK dnoe: 2.721038 position 9.037148 4.418802
ASSI { 275 }
( attr rmsd >= 4.378802 and attr rmsd <= 4.458802 )
(( attr rmsd >= 8.997149 and attr rmsd <= 9.077148 )
and bondedto ( attr rmsd >= 118.3334 and attr rmsd <= 119.1334 ))
3.0 3.0 0.5999999
peak 275 ppm1 4.418802 ppm2 9.037148 volume 40600000 weight 1.0
REMARK dnoe: 2.974355 position 9.039995 3.978765
ASSI { 276 }
( attr rmsd >= 3.938765 and attr rmsd <= 4.018765 )
(( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
and bondedto ( attr rmsd >= 118.3252 and attr rmsd <= 119.1252 ))
3.0 3.0 0.5999999
peak 276 ppm1 3.978765 ppm2 9.039995 volume 23800000 weight 1.0
REMARK dnoe: 2.524911 position 9.039995 2.125356
ASSI { 277 }
( attr rmsd >= 2.085356 and attr rmsd <= 2.165356 )
(( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
and bondedto ( attr rmsd >= 118.3361 and attr rmsd <= 119.1361 ))
3.0 3.0 0.5999999
peak 277 ppm1 2.125356 ppm2 9.039995 volume 63599996 weight 1.0
REMARK dnoe: 3.116092 position 9.039995 0.8101923
ASSI { 278 }
( attr rmsd >= 0.7701923 and attr rmsd <= 0.8501923 )
(( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
and bondedto ( attr rmsd >= 118.3109 and attr rmsd <= 119.1109 ))
3.6 3.6 1.4
peak 278 ppm1 0.8101923 ppm2 9.039995 volume 18000000 weight 1.0
REMARK dnoe: 3.174568 position 9.039995 1.257051
ASSI { 279 }
( attr rmsd >= 1.217051 and attr rmsd <= 1.297051 )
(( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
and bondedto ( attr rmsd >= 118.3275 and attr rmsd <= 119.1275 ))
3.6 3.6 1.4
peak 279 ppm1 1.257051 ppm2 9.039995 volume 16100000 weight 1.0
REMARK dnoe: 3.493824 position 9.04513 1.521087
ASSI { 280 }
( attr rmsd >= 1.481087 and attr rmsd <= 1.561087 )
(( attr rmsd >= 9.00513 and attr rmsd <= 9.08513 )
and bondedto ( attr rmsd >= 118.3416 and attr rmsd <= 119.1416 ))
3.6 3.6 1.4
peak 280 ppm1 1.521087 ppm2 9.04513 volume 9060000 weight 1.0
REMARK dnoe: 3.338601 position 9.260213 8.005795
ASSI { 281 }
( attr rmsd >= 7.965795 and attr rmsd <= 8.045794 )
(( attr rmsd >= 9.220213 and attr rmsd <= 9.300213 )
and bondedto ( attr rmsd >= 108.4881 and attr rmsd <= 109.2881 ))
3.6 3.6 1.4
peak 281 ppm1 8.005795 ppm2 9.260213 volume 11900000 weight 1.0
REMARK dnoe: 2.910678 position 9.259604 6.903278
ASSI { 282 }
( attr rmsd >= 6.863278 and attr rmsd <= 6.943278 )
(( attr rmsd >= 9.219604 and attr rmsd <= 9.299604 )
and bondedto ( attr rmsd >= 108.4912 and attr rmsd <= 109.2912 ))
3.0 3.0 0.5999999
peak 282 ppm1 6.903278 ppm2 9.259604 volume 27100000 weight 1.0
REMARK dnoe: 2.752427 position 9.25938 5.942742
ASSI { 283 }
( attr rmsd >= 5.902742 and attr rmsd <= 5.982742 )
(( attr rmsd >= 9.21938 and attr rmsd <= 9.29938 )
and bondedto ( attr rmsd >= 108.4898 and attr rmsd <= 109.2898 ))
3.0 3.0 0.5999999
peak 283 ppm1 5.942742 ppm2 9.25938 volume 37900000 weight 1.0
REMARK dnoe: 2.502468 position 9.259417 5.169296
ASSI { 284 }
( attr rmsd >= 5.129296 and attr rmsd <= 5.209296 )
(( attr rmsd >= 9.219417 and attr rmsd <= 9.299417 )
and bondedto ( attr rmsd >= 108.4947 and attr rmsd <= 109.2947 ))
3.0 3.0 0.5999999
peak 284 ppm1 5.169296 ppm2 9.259417 volume 67100000 weight 1.0
REMARK dnoe: 3.561124 position 9.260682 3.276569
ASSI { 285 }
( attr rmsd >= 3.236569 and attr rmsd <= 3.316569 )
(( attr rmsd >= 9.220682 and attr rmsd <= 9.300682 )
and bondedto ( attr rmsd >= 108.4859 and attr rmsd <= 109.2859 ))
3.6 3.6 1.4
peak 285 ppm1 3.276569 ppm2 9.260682 volume 8080001 weight 1.0
REMARK dnoe: 2.942276 position 9.260682 3.019285
ASSI { 286 }
( attr rmsd >= 2.979285 and attr rmsd <= 3.059285 )
(( attr rmsd >= 9.220682 and attr rmsd <= 9.300682 )
and bondedto ( attr rmsd >= 108.4963 and attr rmsd <= 109.2963 ))
3.0 3.0 0.5999999
peak 286 ppm1 3.019285 ppm2 9.260682 volume 25400000 weight 1.0
REMARK dnoe: 3.762354 position 9.251703 2.571229
ASSI { 287 }
( attr rmsd >= 2.531229 and attr rmsd <= 2.611229 )
(( attr rmsd >= 9.211703 and attr rmsd <= 9.291703 )
and bondedto ( attr rmsd >= 108.4683 and attr rmsd <= 109.2683 ))
4.2 4.2 1.8
peak 287 ppm1 2.571229 ppm2 9.251703 volume 0.581e+07 weight 1.0
REMARK dnoe: 2.805452 position 9.262933 2.052231
ASSI { 288 }
( attr rmsd >= 2.012231 and attr rmsd <= 2.092231 )
(( attr rmsd >= 9.222933 and attr rmsd <= 9.302933 )
and bondedto ( attr rmsd >= 108.4861 and attr rmsd <= 109.2861 ))
3.0 3.0 0.5999999
peak 288 ppm1 2.052231 ppm2 9.262933 volume 33800000 weight 1.0
REMARK dnoe: 3.815623 position 9.274162 1.213819
ASSI { 289 }
( attr rmsd >= 1.173819 and attr rmsd <= 1.253819 )
(( attr rmsd >= 9.234162 and attr rmsd <= 9.314162 )
and bondedto ( attr rmsd >= 108.534 and attr rmsd <= 109.334 ))
4.2 4.2 1.8
peak 289 ppm1 1.213819 ppm2 9.274162 volume 5340000 weight 1.0
REMARK dnoe: 3.844979 position 9.274162 0.765764
ASSI { 290 }
( attr rmsd >= 0.725764 and attr rmsd <= 0.805764 )
(( attr rmsd >= 9.234162 and attr rmsd <= 9.314162 )
and bondedto ( attr rmsd >= 108.5176 and attr rmsd <= 109.3176 ))
4.2 4.2 1.8
peak 290 ppm1 0.765764 ppm2 9.274162 volume 5100000 weight 1.0
REMARK dnoe: 2.921559 position 9.202 6.880583
ASSI { 291 }
( attr rmsd >= 6.840583 and attr rmsd <= 6.920583 )
(( attr rmsd >= 9.162 and attr rmsd <= 9.242 )
and bondedto ( attr rmsd >= 119.252 and attr rmsd <= 120.052 ))
3.0 3.0 0.5999999
peak 291 ppm1 6.880583 ppm2 9.202 volume 26499998 weight 1.0
REMARK dnoe: 3.03465 position 9.210158 6.643556
ASSI { 292 }
( attr rmsd >= 6.603556 and attr rmsd <= 6.683556 )
(( attr rmsd >= 9.170158 and attr rmsd <= 9.250158 )
and bondedto ( attr rmsd >= 119.3465 and attr rmsd <= 120.1465 ))
3.6 3.6 1.4
peak 292 ppm1 6.643556 ppm2 9.210158 volume 21100000 weight 1.0
REMARK dnoe: 2.719923 position 9.212152 5.87243
ASSI { 293 }
( attr rmsd >= 5.83243 and attr rmsd <= 5.91243 )
(( attr rmsd >= 9.172152 and attr rmsd <= 9.252151 )
and bondedto ( attr rmsd >= 119.2438 and attr rmsd <= 120.0438 ))
3.0 3.0 0.5999999
peak 293 ppm1 5.87243 ppm2 9.212152 volume 40700000 weight 1.0
REMARK dnoe: 3.549505 position 9.211647 5.404635
ASSI { 294 }
( attr rmsd >= 5.364635 and attr rmsd <= 5.444635 )
(( attr rmsd >= 9.171647 and attr rmsd <= 9.251647 )
and bondedto ( attr rmsd >= 119.2865 and attr rmsd <= 120.0865 ))
3.6 3.6 1.4
peak 294 ppm1 5.404635 ppm2 9.211647 volume 8240000 weight 1.0
REMARK dnoe: 3.362571 position 9.214168 4.983237
ASSI { 295 }
( attr rmsd >= 4.943237 and attr rmsd <= 5.023237 )
(( attr rmsd >= 9.174168 and attr rmsd <= 9.254168 )
and bondedto ( attr rmsd >= 119.2635 and attr rmsd <= 120.0635 ))
3.6 3.6 1.4
peak 295 ppm1 4.983237 ppm2 9.214168 volume 11400000 weight 1.0
REMARK dnoe: 2.772285 position 9.211753 3.011876
ASSI { 296 }
( attr rmsd >= 2.971876 and attr rmsd <= 3.051876 )
(( attr rmsd >= 9.171753 and attr rmsd <= 9.251753 )
and bondedto ( attr rmsd >= 119.2627 and attr rmsd <= 120.0627 ))
3.0 3.0 0.5999999
peak 296 ppm1 3.011876 ppm2 9.211753 volume 36300000 weight 1.0
REMARK dnoe: 2.936523 position 9.212315 1.88617
ASSI { 297 }
( attr rmsd >= 1.84617 and attr rmsd <= 1.92617 )
(( attr rmsd >= 9.172315 and attr rmsd <= 9.252315 )
and bondedto ( attr rmsd >= 119.2397 and attr rmsd <= 120.0397 ))
3.0 3.0 0.5999999
peak 297 ppm1 1.88617 ppm2 9.212315 volume 25700000 weight 1.0
REMARK dnoe: 2.703566 position 9.212128 1.534991
ASSI { 298 }
( attr rmsd >= 1.494991 and attr rmsd <= 1.574991 )
(( attr rmsd >= 9.172128 and attr rmsd <= 9.252128 )
and bondedto ( attr rmsd >= 119.2522 and attr rmsd <= 120.0522 ))
3.0 3.0 0.5999999
peak 298 ppm1 1.534991 ppm2 9.212128 volume 42200000 weight 1.0
REMARK dnoe: 3.226737 position 9.212808 0.9547768
ASSI { 299 }
( attr rmsd >= 0.9147768 and attr rmsd <= 0.9947768 )
(( attr rmsd >= 9.172808 and attr rmsd <= 9.252808 )
and bondedto ( attr rmsd >= 119.2346 and attr rmsd <= 120.0346 ))
3.6 3.6 1.4
peak 299 ppm1 0.9547768 ppm2 9.212808 volume 14600000 weight 1.0
REMARK dnoe: 3.302593 position 9.215094 0.7201643
ASSI { 300 }
( attr rmsd >= 0.6801643 and attr rmsd <= 0.7601643 )
(( attr rmsd >= 9.175094 and attr rmsd <= 9.255094 )
and bondedto ( attr rmsd >= 119.2459 and attr rmsd <= 120.0459 ))
3.6 3.6 1.4
peak 300 ppm1 0.7201643 ppm2 9.215094 volume 12700000 weight 1.0
REMARK dnoe: 3.059306 position 9.218341 6.876715
ASSI { 302 }
( attr rmsd >= 6.836715 and attr rmsd <= 6.916715 )
(( attr rmsd >= 9.178341 and attr rmsd <= 9.258341 )
and bondedto ( attr rmsd >= 124.9366 and attr rmsd <= 125.7366 ))
3.6 3.6 1.4
peak 302 ppm1 6.876715 ppm2 9.218341 volume 20100000 weight 1.0
REMARK dnoe: 3.447232 position 9.225386 5.357558
ASSI { 303 }
( attr rmsd >= 5.317558 and attr rmsd <= 5.397558 )
(( attr rmsd >= 9.185386 and attr rmsd <= 9.265386 )
and bondedto ( attr rmsd >= 124.9065 and attr rmsd <= 125.7065 ))
3.6 3.6 1.4
peak 303 ppm1 5.357558 ppm2 9.225386 volume 9820000 weight 1.0
REMARK dnoe: 2.706782 position 9.213687 4.98108
ASSI { 304 }
( attr rmsd >= 4.94108 and attr rmsd <= 5.02108 )
(( attr rmsd >= 9.173687 and attr rmsd <= 9.253687 )
and bondedto ( attr rmsd >= 124.9141 and attr rmsd <= 125.7141 ))
3.0 3.0 0.5999999
peak 304 ppm1 4.98108 ppm2 9.213687 volume 41900000 weight 1.0
REMARK dnoe: 2.991353 position 9.226452 2.007052
ASSI { 305 }
( attr rmsd >= 1.967052 and attr rmsd <= 2.047052 )
(( attr rmsd >= 9.186452 and attr rmsd <= 9.266452 )
and bondedto ( attr rmsd >= 124.8946 and attr rmsd <= 125.6946 ))
3.0 3.0 0.5999999
peak 305 ppm1 2.007052 ppm2 9.226452 volume 23000000 weight 1.0
REMARK dnoe: 3.03947 position 9.226452 1.515507
ASSI { 306 }
( attr rmsd >= 1.475507 and attr rmsd <= 1.555507 )
(( attr rmsd >= 9.186452 and attr rmsd <= 9.266452 )
and bondedto ( attr rmsd >= 124.9073 and attr rmsd <= 125.7073 ))
3.6 3.6 1.4
peak 306 ppm1 1.515507 ppm2 9.226452 volume 20900000 weight 1.0
REMARK dnoe: 2.974355 position 9.214472 1.280285
ASSI { 307 }
( attr rmsd >= 1.240285 and attr rmsd <= 1.320285 )
(( attr rmsd >= 9.174472 and attr rmsd <= 9.254472 )
and bondedto ( attr rmsd >= 124.9139 and attr rmsd <= 125.7139 ))
3.0 3.0 0.5999999
peak 307 ppm1 1.280285 ppm2 9.214472 volume 23800000 weight 1.0
REMARK dnoe: 3.056777 position 9.21847 0.7423899
ASSI { 308 }
( attr rmsd >= 0.7023899 and attr rmsd <= 0.7823899 )
(( attr rmsd >= 9.17847 and attr rmsd <= 9.25847 )
and bondedto ( attr rmsd >= 124.9188 and attr rmsd <= 125.7188 ))
3.6 3.6 1.4
peak 308 ppm1 0.7423899 ppm2 9.21847 volume 20200000 weight 1.0
REMARK dnoe: 3.110358 position 9.882264 9.206196
ASSI { 309 }
( attr rmsd >= 9.166196 and attr rmsd <= 9.246196 )
(( attr rmsd >= 9.842264 and attr rmsd <= 9.922264 )
and bondedto ( attr rmsd >= 130.1846 and attr rmsd <= 130.9846 ))
3.6 3.6 1.4
peak 309 ppm1 9.206196 ppm2 9.882264 volume 18200000 weight 1.0
REMARK dnoe: 2.726664 position 9.884796 5.384402
ASSI { 310 }
( attr rmsd >= 5.344402 and attr rmsd <= 5.424402 )
(( attr rmsd >= 9.844796 and attr rmsd <= 9.924796 )
and bondedto ( attr rmsd >= 130.1807 and attr rmsd <= 130.9807 ))
3.0 3.0 0.5999999
peak 310 ppm1 5.384402 ppm2 9.884796 volume 40100000 weight 1.0
REMARK dnoe: 3.468756 position 9.872124 4.869178
ASSI { 311 }
( attr rmsd >= 4.829178 and attr rmsd <= 4.909178 )
(( attr rmsd >= 9.832124 and attr rmsd <= 9.912124 )
and bondedto ( attr rmsd >= 130.2186 and attr rmsd <= 131.0186 ))
3.6 3.6 1.4
peak 311 ppm1 4.869178 ppm2 9.872124 volume 9460000 weight 1.0
REMARK dnoe: 2.984899 position 9.881467 1.909874
ASSI { 312 }
( attr rmsd >= 1.869874 and attr rmsd <= 1.949874 )
(( attr rmsd >= 9.841467 and attr rmsd <= 9.921467 )
and bondedto ( attr rmsd >= 130.1725 and attr rmsd <= 130.9725 ))
3.0 3.0 0.5999999
peak 312 ppm1 1.909874 ppm2 9.881467 volume 23300000 weight 1.0
REMARK dnoe: 3.281406 position 9.882991 1.630199
ASSI { 313 }
( attr rmsd >= 1.590199 and attr rmsd <= 1.670199 )
(( attr rmsd >= 9.842991 and attr rmsd <= 9.922991 )
and bondedto ( attr rmsd >= 130.2346 and attr rmsd <= 131.0346 ))
3.6 3.6 1.4
peak 313 ppm1 1.630199 ppm2 9.882991 volume 13200000 weight 1.0
REMARK dnoe: 2.879648 position 9.8855 1.38091
ASSI { 314 }
( attr rmsd >= 1.34091 and attr rmsd <= 1.42091 )
(( attr rmsd >= 9.8455 and attr rmsd <= 9.9255 )
and bondedto ( attr rmsd >= 130.2346 and attr rmsd <= 131.0346 ))
3.0 3.0 0.5999999
peak 314 ppm1 1.38091 ppm2 9.8855 volume 28900000 weight 1.0
REMARK dnoe: 3.181189 position 9.895546 0.9754548
ASSI { 315 }
( attr rmsd >= 0.9354548 and attr rmsd <= 1.015455 )
(( attr rmsd >= 9.855546 and attr rmsd <= 9.935546 )
and bondedto ( attr rmsd >= 130.243 and attr rmsd <= 131.043 ))
3.6 3.6 1.4
peak 315 ppm1 0.9754548 ppm2 9.895546 volume 15899999 weight 1.0
REMARK dnoe: 2.693033 position 9.882991 0.7196248
ASSI { 316 }
( attr rmsd >= 0.6796248 and attr rmsd <= 0.7596248 )
(( attr rmsd >= 9.842991 and attr rmsd <= 9.922991 )
and bondedto ( attr rmsd >= 130.1874 and attr rmsd <= 130.9874 ))
3.0 3.0 0.5999999
peak 316 ppm1 0.7196248 ppm2 9.882991 volume 43200000 weight 1.0
REMARK dnoe: 3.223068 position 9.083474 8.35611
ASSI { 317 }
( attr rmsd >= 8.31611 and attr rmsd <= 8.39611 )
(( attr rmsd >= 9.043474 and attr rmsd <= 9.123474 )
and bondedto ( attr rmsd >= 122.0216 and attr rmsd <= 122.8216 ))
3.6 3.6 1.4
peak 317 ppm1 8.35611 ppm2 9.083474 volume 14700000 weight 1.0
REMARK dnoe: 2.395995 position 9.084295 4.871475
ASSI { 318 }
( attr rmsd >= 4.831475 and attr rmsd <= 4.911475 )
(( attr rmsd >= 9.044295 and attr rmsd <= 9.124295 )
and bondedto ( attr rmsd >= 121.9997 and attr rmsd <= 122.7997 ))
2.5 2.5 0.2
peak 318 ppm1 4.871475 ppm2 9.084295 volume 87100000 weight 1.0
REMARK dnoe: 2.874696 position 9.084295 3.721036
ASSI { 319 }
( attr rmsd >= 3.681036 and attr rmsd <= 3.761036 )
(( attr rmsd >= 9.044295 and attr rmsd <= 9.124295 )
and bondedto ( attr rmsd >= 121.9874 and attr rmsd <= 122.7874 ))
3.0 3.0 0.5999999
peak 319 ppm1 3.721036 ppm2 9.084295 volume 29200000 weight 1.0
REMARK dnoe: 3.000113 position 9.076956 1.887062
ASSI { 320 }
( attr rmsd >= 1.847062 and attr rmsd <= 1.927062 )
(( attr rmsd >= 9.036956 and attr rmsd <= 9.116956 )
and bondedto ( attr rmsd >= 121.9751 and attr rmsd <= 122.7751 ))
3.6 3.6 1.4
peak 320 ppm1 1.887062 ppm2 9.076956 volume 22600000 weight 1.0
REMARK dnoe: 3.544504 position 9.084295 1.376832
ASSI { 321 }
( attr rmsd >= 1.336832 and attr rmsd <= 1.416832 )
(( attr rmsd >= 9.044295 and attr rmsd <= 9.124295 )
and bondedto ( attr rmsd >= 122.0093 and attr rmsd <= 122.8093 ))
3.6 3.6 1.4
peak 321 ppm1 1.376832 ppm2 9.084295 volume 0.831e+07 weight 1.0
REMARK dnoe: 2.750014 position 9.081844 0.6547999
ASSI { 322 }
( attr rmsd >= 0.6147999 and attr rmsd <= 0.6947999 )
(( attr rmsd >= 9.041844 and attr rmsd <= 9.121844 )
and bondedto ( attr rmsd >= 121.9947 and attr rmsd <= 122.7947 ))
3.0 3.0 0.5999999
peak 322 ppm1 0.6547999 ppm2 9.081844 volume 38100000 weight 1.0
REMARK dnoe: 3.3433 position 9.074507 0.9626541
ASSI { 323 }
( attr rmsd >= 0.9226541 and attr rmsd <= 1.002654 )
(( attr rmsd >= 9.034507 and attr rmsd <= 9.114507 )
and bondedto ( attr rmsd >= 122.0228 and attr rmsd <= 122.8228 ))
3.6 3.6 1.4
peak 323 ppm1 0.9626541 ppm2 9.074507 volume 11800000 weight 1.0
REMARK dnoe: 3.215817 position 8.346625 5.496844
ASSI { 324 }
( attr rmsd >= 5.456844 and attr rmsd <= 5.536844 )
(( attr rmsd >= 8.306625 and attr rmsd <= 8.386625 )
and bondedto ( attr rmsd >= 125.6934 and attr rmsd <= 126.4934 ))
3.6 3.6 1.4
peak 324 ppm1 5.496844 ppm2 8.346625 volume 14900000 weight 1.0
REMARK dnoe: 3.298279 position 8.346145 6.856482
ASSI { 325 }
( attr rmsd >= 6.816482 and attr rmsd <= 6.896482 )
(( attr rmsd >= 8.306145 and attr rmsd <= 8.386145 )
and bondedto ( attr rmsd >= 125.7071 and attr rmsd <= 126.5071 ))
3.6 3.6 1.4
peak 325 ppm1 6.856482 ppm2 8.346145 volume 12800001 weight 1.0
REMARK dnoe: 3.639553 position 8.346473 7.713719
ASSI { 326 }
( attr rmsd >= 7.673719 and attr rmsd <= 7.753719 )
(( attr rmsd >= 8.306473 and attr rmsd <= 8.386473 )
and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 ))
4.2 4.2 1.8
peak 326 ppm1 7.713719 ppm2 8.346473 volume 7090000 weight 1.0
REMARK dnoe: 3.575276 position 8.343495 9.191544
ASSI { 327 }
( attr rmsd >= 9.151544 and attr rmsd <= 9.231544 )
(( attr rmsd >= 8.303495 and attr rmsd <= 8.383495 )
and bondedto ( attr rmsd >= 125.8575 and attr rmsd <= 126.6575 ))
3.6 3.6 1.4
peak 327 ppm1 9.191544 ppm2 8.343495 volume 0.789e+07 weight 1.0
REMARK dnoe: 2.466439 position 8.34618 4.74621
ASSI { 328 }
( attr rmsd >= 4.70621 and attr rmsd <= 4.78621 )
(( attr rmsd >= 8.30618 and attr rmsd <= 8.38618 )
and bondedto ( attr rmsd >= 125.6974 and attr rmsd <= 126.4974 ))
2.5 2.5 0.2
peak 328 ppm1 4.74621 ppm2 8.34618 volume 73200000 weight 1.0
REMARK dnoe: 2.982769 position 8.357211 4.289527
ASSI { 329 }
( attr rmsd >= 4.249527 and attr rmsd <= 4.329527 )
(( attr rmsd >= 8.317211 and attr rmsd <= 8.397211 )
and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 ))
3.0 3.0 0.5999999
peak 329 ppm1 4.289527 ppm2 8.357211 volume 23400000 weight 1.0
REMARK dnoe: 3.037054 position 8.356015 3.715644
ASSI { 330 }
( attr rmsd >= 3.675644 and attr rmsd <= 3.755644 )
(( attr rmsd >= 8.316015 and attr rmsd <= 8.396015 )
and bondedto ( attr rmsd >= 125.6932 and attr rmsd <= 126.4932 ))
3.6 3.6 1.4
peak 330 ppm1 3.715644 ppm2 8.356015 volume 21000000 weight 1.0
REMARK dnoe: 2.668875 position 8.346027 1.722783
ASSI { 331 }
( attr rmsd >= 1.682783 and attr rmsd <= 1.762783 )
(( attr rmsd >= 8.306027 and attr rmsd <= 8.386027 )
and bondedto ( attr rmsd >= 125.7046 and attr rmsd <= 126.5046 ))
3.0 3.0 0.5999999
peak 331 ppm1 1.722783 ppm2 8.346027 volume 45600000 weight 1.0
REMARK dnoe: 2.910678 position 8.346556 1.277026
ASSI { 332 }
( attr rmsd >= 1.237026 and attr rmsd <= 1.317026 )
(( attr rmsd >= 8.306556 and attr rmsd <= 8.386556 )
and bondedto ( attr rmsd >= 125.6999 and attr rmsd <= 126.4999 ))
3.0 3.0 0.5999999
peak 332 ppm1 1.277026 ppm2 8.346556 volume 27100000 weight 1.0
REMARK dnoe: 2.663066 position 8.346215 0.7142558
ASSI { 333 }
( attr rmsd >= 0.6742558 and attr rmsd <= 0.7542558 )
(( attr rmsd >= 8.306215 and attr rmsd <= 8.386215 )
and bondedto ( attr rmsd >= 125.7011 and attr rmsd <= 126.5011 ))
3.0 3.0 0.5999999
peak 333 ppm1 0.7142558 ppm2 8.346215 volume 46200000 weight 1.0
REMARK dnoe: 3.198175 position 8.345992 0.3161626
ASSI { 334 }
( attr rmsd >= 0.2761626 and attr rmsd <= 0.3561626 )
(( attr rmsd >= 8.305992 and attr rmsd <= 8.385992 )
and bondedto ( attr rmsd >= 125.7182 and attr rmsd <= 126.5182 ))
3.6 3.6 1.4
peak 334 ppm1 0.3161626 ppm2 8.345992 volume 15400000 weight 1.0
REMARK dnoe: 3.387801 position 7.949423 3.537088
ASSI { 335 }
( attr rmsd >= 3.497088 and attr rmsd <= 3.577088 )
(( attr rmsd >= 7.909423 and attr rmsd <= 7.989423 )
and bondedto ( attr rmsd >= 107.3009 and attr rmsd <= 108.1009 ))
3.6 3.6 1.4
peak 335 ppm1 3.537088 ppm2 7.949423 volume 10900000 weight 1.0
REMARK dnoe: 3.414419 position 7.949423 4.117536
ASSI { 336 }
( attr rmsd >= 4.077536 and attr rmsd <= 4.157536 )
(( attr rmsd >= 7.909423 and attr rmsd <= 7.989423 )
and bondedto ( attr rmsd >= 107.2644 and attr rmsd <= 108.0644 ))
3.6 3.6 1.4
peak 336 ppm1 4.117536 ppm2 7.949423 volume 10400000 weight 1.0
REMARK dnoe: 3.061851 position 7.652833 2.965526
ASSI { 337 }
( attr rmsd >= 2.925526 and attr rmsd <= 3.005526 )
(( attr rmsd >= 7.612833 and attr rmsd <= 7.692833 )
and bondedto ( attr rmsd >= 119.8481 and attr rmsd <= 120.6481 ))
3.6 3.6 1.4
peak 337 ppm1 2.965526 ppm2 7.652833 volume 20000000 weight 1.0
REMARK dnoe: 3.630225 position 8.125458 5.035636
ASSI { 338 }
( attr rmsd >= 4.995636 and attr rmsd <= 5.075636 )
(( attr rmsd >= 8.085458 and attr rmsd <= 8.165458 )
and bondedto ( attr rmsd >= 121.8042 and attr rmsd <= 122.6042 ))
4.2 4.2 1.8
peak 338 ppm1 5.035636 ppm2 8.125458 volume 7200001 weight 1.0
REMARK dnoe: 3.436811 position 8.125458 2.992416
ASSI { 339 }
( attr rmsd >= 2.952416 and attr rmsd <= 3.032416 )
(( attr rmsd >= 8.085458 and attr rmsd <= 8.165458 )
and bondedto ( attr rmsd >= 121.8005 and attr rmsd <= 122.6005 ))
3.6 3.6 1.4
peak 339 ppm1 2.992416 ppm2 8.125458 volume 10000000 weight 1.0
REMARK dnoe: 3.414419 position 8.135926 2.195057
ASSI { 340 }
( attr rmsd >= 2.155057 and attr rmsd <= 2.235057 )
(( attr rmsd >= 8.095926 and attr rmsd <= 8.175926 )
and bondedto ( attr rmsd >= 121.8236 and attr rmsd <= 122.6236 ))
3.6 3.6 1.4
peak 340 ppm1 2.195057 ppm2 8.135926 volume 10400000 weight 1.0
REMARK dnoe: 3.3433 position 8.135926 1.771478
ASSI { 341 }
( attr rmsd >= 1.731478 and attr rmsd <= 1.811478 )
(( attr rmsd >= 8.095926 and attr rmsd <= 8.175926 )
and bondedto ( attr rmsd >= 121.7562 and attr rmsd <= 122.5562 ))
3.6 3.6 1.4
peak 341 ppm1 1.771478 ppm2 8.135926 volume 11800000 weight 1.0
REMARK dnoe: 2.813839 position 8.123372 4.512371
ASSI { 342 }
( attr rmsd >= 4.472371 and attr rmsd <= 4.552371 )
(( attr rmsd >= 8.083372 and attr rmsd <= 8.163372 )
and bondedto ( attr rmsd >= 121.863 and attr rmsd <= 122.663 ))
3.0 3.0 0.5999999
peak 342 ppm1 4.512371 ppm2 8.123372 volume 33199998 weight 1.0
REMARK dnoe: 2.736999 position 8.757426 1.913531
ASSI { 343 }
( attr rmsd >= 1.873531 and attr rmsd <= 1.953531 )
(( attr rmsd >= 8.717426 and attr rmsd <= 8.797426 )
and bondedto ( attr rmsd >= 124.5043 and attr rmsd <= 125.3043 ))
3.0 3.0 0.5999999
peak 343 ppm1 1.913531 ppm2 8.757426 volume 39200000 weight 1.0
REMARK dnoe: 2.896598 position 8.757426 0.8150921
ASSI { 344 }
( attr rmsd >= 0.7750921 and attr rmsd <= 0.8550921 )
(( attr rmsd >= 8.717426 and attr rmsd <= 8.797426 )
and bondedto ( attr rmsd >= 124.4967 and attr rmsd <= 125.2967 ))
3.0 3.0 0.5999999
peak 344 ppm1 0.8150921 ppm2 8.757426 volume 27900002 weight 1.0
REMARK dnoe: 3.627711 position 8.770286 5.160363
ASSI { 345 }
( attr rmsd >= 5.120363 and attr rmsd <= 5.200363 )
(( attr rmsd >= 8.730286 and attr rmsd <= 8.810286 )
and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 ))
4.2 4.2 1.8
peak 345 ppm1 5.160363 ppm2 8.770286 volume 7230000 weight 1.0
REMARK dnoe: 2.538393 position 8.767543 4.699695
ASSI { 346 }
( attr rmsd >= 4.659695 and attr rmsd <= 4.739695 )
(( attr rmsd >= 8.727543 and attr rmsd <= 8.807543 )
and bondedto ( attr rmsd >= 125.6866 and attr rmsd <= 126.4866 ))
3.0 3.0 0.5999999
peak 346 ppm1 4.699695 ppm2 8.767543 volume 61600000 weight 1.0
REMARK dnoe: 3.237922 position 8.770286 2.036851
ASSI { 347 }
( attr rmsd >= 1.996851 and attr rmsd <= 2.076851 )
(( attr rmsd >= 8.730286 and attr rmsd <= 8.810286 )
and bondedto ( attr rmsd >= 125.7177 and attr rmsd <= 126.5177 ))
3.6 3.6 1.4
peak 347 ppm1 2.036851 ppm2 8.770286 volume 14300001 weight 1.0
REMARK dnoe: 2.916083 position 8.772537 1.712538
ASSI { 348 }
( attr rmsd >= 1.672538 and attr rmsd <= 1.752538 )
(( attr rmsd >= 8.732537 and attr rmsd <= 8.812537 )
and bondedto ( attr rmsd >= 125.6739 and attr rmsd <= 126.4739 ))
3.0 3.0 0.5999999
peak 348 ppm1 1.712538 ppm2 8.772537 volume 26800000 weight 1.0
REMARK dnoe: 3.127785 position 8.759045 1.292125
ASSI { 349 }
( attr rmsd >= 1.252125 and attr rmsd <= 1.332125 )
(( attr rmsd >= 8.719045 and attr rmsd <= 8.799045 )
and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 ))
3.6 3.6 1.4
peak 349 ppm1 1.292125 ppm2 8.759045 volume 17600000 weight 1.0
REMARK dnoe: 3.709962 position 8.757719 8.039158
ASSI { 350 }
( attr rmsd >= 7.999158 and attr rmsd <= 8.079158 )
(( attr rmsd >= 8.717719 and attr rmsd <= 8.797719 )
and bondedto ( attr rmsd >= 125.7577 and attr rmsd <= 126.5577 ))
4.2 4.2 1.8
peak 350 ppm1 8.039158 ppm2 8.757719 volume 6320001 weight 1.0
REMARK dnoe: 3.133748 position 8.007483 9.249569
ASSI { 351 }
( attr rmsd >= 9.209569 and attr rmsd <= 9.289569 )
(( attr rmsd >= 7.967483 and attr rmsd <= 8.047482 )
and bondedto ( attr rmsd >= 118.6473 and attr rmsd <= 119.4473 ))
3.6 3.6 1.4
peak 351 ppm1 9.249569 ppm2 8.007483 volume 17400000 weight 1.0
REMARK dnoe: 3.387801 position 8.014717 8.618668
ASSI { 352 }
( attr rmsd >= 8.578668 and attr rmsd <= 8.658668 )
(( attr rmsd >= 7.974717 and attr rmsd <= 8.054717 )
and bondedto ( attr rmsd >= 118.6473 and attr rmsd <= 119.4473 ))
3.6 3.6 1.4
peak 352 ppm1 8.618668 ppm2 8.014717 volume 10900000 weight 1.0
REMARK dnoe: 2.88466 position 8.007332 6.90438
ASSI { 353 }
( attr rmsd >= 6.86438 and attr rmsd <= 6.94438 )
(( attr rmsd >= 7.967332 and attr rmsd <= 8.047332 )
and bondedto ( attr rmsd >= 118.6334 and attr rmsd <= 119.4334 ))
3.0 3.0 0.5999999
peak 353 ppm1 6.90438 ppm2 8.007332 volume 28600002 weight 1.0
REMARK dnoe: 3.431116 position 8.01256 8.777671
ASSI { 354 }
( attr rmsd >= 8.737671 and attr rmsd <= 8.817671 )
(( attr rmsd >= 7.97256 and attr rmsd <= 8.05256 )
and bondedto ( attr rmsd >= 118.5877 and attr rmsd <= 119.3877 ))
3.6 3.6 1.4
peak 354 ppm1 8.777671 ppm2 8.01256 volume 10100000 weight 1.0
REMARK dnoe: 2.411469 position 8.007472 5.155111
ASSI { 355 }
( attr rmsd >= 5.115111 and attr rmsd <= 5.195111 )
(( attr rmsd >= 7.967472 and attr rmsd <= 8.047472 )
and bondedto ( attr rmsd >= 118.6475 and attr rmsd <= 119.4475 ))
2.5 2.5 0.2
peak 355 ppm1 5.155111 ppm2 8.007472 volume 83800000 weight 1.0
REMARK dnoe: 2.910678 position 8.005527 3.197864
ASSI { 356 }
( attr rmsd >= 3.157864 and attr rmsd <= 3.237864 )
(( attr rmsd >= 7.965527 and attr rmsd <= 8.045527 )
and bondedto ( attr rmsd >= 118.6398 and attr rmsd <= 119.4398 ))
3.0 3.0 0.5999999
peak 356 ppm1 3.197864 ppm2 8.005527 volume 27100000 weight 1.0
REMARK dnoe: 2.932732 position 8.009559 2.027333
ASSI { 357 }
( attr rmsd >= 1.987333 and attr rmsd <= 2.067333 )
(( attr rmsd >= 7.969559 and attr rmsd <= 8.049559 )
and bondedto ( attr rmsd >= 118.6309 and attr rmsd <= 119.4309 ))
3.0 3.0 0.5999999
peak 357 ppm1 2.027333 ppm2 8.009559 volume 25900000 weight 1.0
REMARK dnoe: 2.767226 position 8.009559 1.749042
ASSI { 358 }
( attr rmsd >= 1.709042 and attr rmsd <= 1.789042 )
(( attr rmsd >= 7.969559 and attr rmsd <= 8.049559 )
and bondedto ( attr rmsd >= 118.6199 and attr rmsd <= 119.4199 ))
3.0 3.0 0.5999999
peak 358 ppm1 1.749042 ppm2 8.009559 volume 36700000 weight 1.0
REMARK dnoe: 3.041901 position 8.009559 1.51886
ASSI { 359 }
( attr rmsd >= 1.47886 and attr rmsd <= 1.55886 )
(( attr rmsd >= 7.969559 and attr rmsd <= 8.049559 )
and bondedto ( attr rmsd >= 118.6313 and attr rmsd <= 119.4313 ))
3.6 3.6 1.4
peak 359 ppm1 1.51886 ppm2 8.009559 volume 20800000 weight 1.0
REMARK dnoe: 3.561124 position 8.006101 1.3121
ASSI { 360 }
( attr rmsd >= 1.2721 and attr rmsd <= 1.3521 )
(( attr rmsd >= 7.966101 and attr rmsd <= 8.046101 )
and bondedto ( attr rmsd >= 118.6676 and attr rmsd <= 119.4676 ))
3.6 3.6 1.4
peak 360 ppm1 1.3121 ppm2 8.006101 volume 8080001 weight 1.0
REMARK dnoe: 3.906034 position 8.011293 0.7262831
ASSI { 361 }
( attr rmsd >= 0.6862831 and attr rmsd <= 0.7662831 )
(( attr rmsd >= 7.971293 and attr rmsd <= 8.051293 )
and bondedto ( attr rmsd >= 118.6676 and attr rmsd <= 119.4676 ))
4.2 4.2 1.8
peak 361 ppm1 0.7262831 ppm2 8.011293 volume 4640000 weight 1.0
REMARK dnoe: 4.034705 position 8.569153 8.004436
ASSI { 362 }
( attr rmsd >= 7.964436 and attr rmsd <= 8.044436 )
(( attr rmsd >= 8.529153 and attr rmsd <= 8.609153 )
and bondedto ( attr rmsd >= 119.7483 and attr rmsd <= 120.5483 ))
4.2 4.2 1.8
peak 362 ppm1 8.004436 ppm2 8.569153 volume 3820000 weight 1.0
REMARK dnoe: 3.187908 position 8.578741 6.918681
ASSI { 363 }
( attr rmsd >= 6.878681 and attr rmsd <= 6.958681 )
(( attr rmsd >= 8.538741 and attr rmsd <= 8.618741 )
and bondedto ( attr rmsd >= 119.7862 and attr rmsd <= 120.5862 ))
3.6 3.6 1.4
peak 363 ppm1 6.918681 ppm2 8.578741 volume 15700001 weight 1.0
REMARK dnoe: 3.174568 position 8.582317 5.992984
ASSI { 364 }
( attr rmsd >= 5.952984 and attr rmsd <= 6.032984 )
(( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
and bondedto ( attr rmsd >= 119.7889 and attr rmsd <= 120.5889 ))
3.6 3.6 1.4
peak 364 ppm1 5.992984 ppm2 8.582317 volume 16100000 weight 1.0
REMARK dnoe: 4.082386 position 8.582317 9.478157
ASSI { 365 }
( attr rmsd >= 9.438157 and attr rmsd <= 9.518157 )
(( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
and bondedto ( attr rmsd >= 119.8145 and attr rmsd <= 120.6145 ))
4.2 4.2 1.8
peak 365 ppm1 9.478157 ppm2 8.582317 volume 3560000 weight 1.0
REMARK dnoe: 2.509372 position 8.582317 4.939161
ASSI { 366 }
( attr rmsd >= 4.899161 and attr rmsd <= 4.979161 )
(( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
and bondedto ( attr rmsd >= 119.7858 and attr rmsd <= 120.5858 ))
3.0 3.0 0.5999999
peak 366 ppm1 4.939161 ppm2 8.582317 volume 66000004 weight 1.0
REMARK dnoe: 3.333948 position 8.582317 5.19192
ASSI { 367 }
( attr rmsd >= 5.15192 and attr rmsd <= 5.23192 )
(( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
and bondedto ( attr rmsd >= 119.7985 and attr rmsd <= 120.5985 ))
3.6 3.6 1.4
peak 367 ppm1 5.19192 ppm2 8.582317 volume 12000000 weight 1.0
REMARK dnoe: 3.191304 position 8.570536 4.626782
ASSI { 368 }
( attr rmsd >= 4.586782 and attr rmsd <= 4.666782 )
(( attr rmsd >= 8.530536 and attr rmsd <= 8.610536 )
and bondedto ( attr rmsd >= 119.8459 and attr rmsd <= 120.6459 ))
3.6 3.6 1.4
peak 368 ppm1 4.626782 ppm2 8.570536 volume 15600000 weight 1.0
REMARK dnoe: 3.443733 position 8.582317 3.795333
ASSI { 369 }
( attr rmsd >= 3.755333 and attr rmsd <= 3.835333 )
(( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
and bondedto ( attr rmsd >= 119.8659 and attr rmsd <= 120.6659 ))
3.6 3.6 1.4
peak 369 ppm1 3.795333 ppm2 8.582317 volume 9880000 weight 1.0
REMARK dnoe: 2.625594 position 8.580652 3.296473
ASSI { 370 }
( attr rmsd >= 3.256473 and attr rmsd <= 3.336473 )
(( attr rmsd >= 8.540652 and attr rmsd <= 8.620652 )
and bondedto ( attr rmsd >= 119.786 and attr rmsd <= 120.586 ))
3.0 3.0 0.5999999
peak 370 ppm1 3.296473 ppm2 8.580652 volume 50300004 weight 1.0
REMARK dnoe: 2.598743 position 8.580359 3.142628
ASSI { 371 }
( attr rmsd >= 3.102628 and attr rmsd <= 3.182628 )
(( attr rmsd >= 8.540359 and attr rmsd <= 8.620359 )
and bondedto ( attr rmsd >= 119.8059 and attr rmsd <= 120.6059 ))
3.0 3.0 0.5999999
peak 371 ppm1 3.142628 ppm2 8.580359 volume 53500004 weight 1.0
REMARK dnoe: 2.5677 position 8.580688 2.542158
ASSI { 372 }
( attr rmsd >= 2.502158 and attr rmsd <= 2.582158 )
(( attr rmsd >= 8.540689 and attr rmsd <= 8.620688 )
and bondedto ( attr rmsd >= 119.7827 and attr rmsd <= 120.5827 ))
3.0 3.0 0.5999999
peak 372 ppm1 2.542158 ppm2 8.580688 volume 57500000 weight 1.0
REMARK dnoe: 3.000113 position 9.485565 9.229383
ASSI { 373 }
( attr rmsd >= 9.189384 and attr rmsd <= 9.269383 )
(( attr rmsd >= 9.445565 and attr rmsd <= 9.525565 )
and bondedto ( attr rmsd >= 116.3323 and attr rmsd <= 117.1323 ))
3.6 3.6 1.4
peak 373 ppm1 9.229383 ppm2 9.485565 volume 22600000 weight 1.0
REMARK dnoe: 3.468146 position 9.48403 8.617637
ASSI { 374 }
( attr rmsd >= 8.577637 and attr rmsd <= 8.657637 )
(( attr rmsd >= 9.44403 and attr rmsd <= 9.52403 )
and bondedto ( attr rmsd >= 116.4161 and attr rmsd <= 117.2161 ))
3.6 3.6 1.4
peak 374 ppm1 8.617637 ppm2 9.48403 volume 9470000 weight 1.0
REMARK dnoe: 2.791852 position 9.486433 6.892985
ASSI { 375 }
( attr rmsd >= 6.852985 and attr rmsd <= 6.932985 )
(( attr rmsd >= 9.446433 and attr rmsd <= 9.526433 )
and bondedto ( attr rmsd >= 116.3312 and attr rmsd <= 117.1312 ))
3.0 3.0 0.5999999
peak 375 ppm1 6.892985 ppm2 9.486433 volume 34800000 weight 1.0
REMARK dnoe: 2.606928 position 9.484697 5.991085
ASSI { 376 }
( attr rmsd >= 5.951085 and attr rmsd <= 6.031085 )
(( attr rmsd >= 9.444697 and attr rmsd <= 9.524697 )
and bondedto ( attr rmsd >= 116.337 and attr rmsd <= 117.137 ))
3.0 3.0 0.5999999
peak 376 ppm1 5.991085 ppm2 9.484697 volume 52499996 weight 1.0
REMARK dnoe: 3.03465 position 9.486433 5.263099
ASSI { 377 }
( attr rmsd >= 5.223099 and attr rmsd <= 5.303099 )
(( attr rmsd >= 9.446433 and attr rmsd <= 9.526433 )
and bondedto ( attr rmsd >= 116.3382 and attr rmsd <= 117.1382 ))
3.6 3.6 1.4
peak 377 ppm1 5.263099 ppm2 9.486433 volume 21100000 weight 1.0
REMARK dnoe: 3.602416 position 9.490969 4.030133
ASSI { 378 }
( attr rmsd >= 3.990133 and attr rmsd <= 4.070133 )
(( attr rmsd >= 9.450969 and attr rmsd <= 9.530969 )
and bondedto ( attr rmsd >= 116.3706 and attr rmsd <= 117.1706 ))
4.2 4.2 1.8
peak 378 ppm1 4.030133 ppm2 9.490969 volume 7540000 weight 1.0
REMARK dnoe: 3.16161 position 9.486175 3.29727
ASSI { 379 }
( attr rmsd >= 3.25727 and attr rmsd <= 3.33727 )
(( attr rmsd >= 9.446175 and attr rmsd <= 9.526175 )
and bondedto ( attr rmsd >= 116.331 and attr rmsd <= 117.131 ))
3.6 3.6 1.4
peak 379 ppm1 3.29727 ppm2 9.486175 volume 16500001 weight 1.0
REMARK dnoe: 2.801324 position 9.486175 2.548652
ASSI { 380 }
( attr rmsd >= 2.508652 and attr rmsd <= 2.588652 )
(( attr rmsd >= 9.446175 and attr rmsd <= 9.526175 )
and bondedto ( attr rmsd >= 116.3323 and attr rmsd <= 117.1323 ))
3.0 3.0 0.5999999
peak 380 ppm1 2.548652 ppm2 9.486175 volume 34100000 weight 1.0
REMARK dnoe: 3.477387 position 9.488566 2.063742
ASSI { 381 }
( attr rmsd >= 2.023742 and attr rmsd <= 2.103742 )
(( attr rmsd >= 9.448566 and attr rmsd <= 9.528566 )
and bondedto ( attr rmsd >= 116.3507 and attr rmsd <= 117.1507 ))
3.6 3.6 1.4
peak 381 ppm1 2.063742 ppm2 9.488566 volume 9320000 weight 1.0
REMARK dnoe: 3.437958 position 9.493361 1.18885
ASSI { 382 }
( attr rmsd >= 1.14885 and attr rmsd <= 1.22885 )
(( attr rmsd >= 9.453362 and attr rmsd <= 9.533361 )
and bondedto ( attr rmsd >= 116.3112 and attr rmsd <= 117.1112 ))
3.6 3.6 1.4
peak 382 ppm1 1.18885 ppm2 9.493361 volume 9980000 weight 1.0
REMARK dnoe: 2.912472 position 9.486175 0.7718835
ASSI { 383 }
( attr rmsd >= 0.7318835 and attr rmsd <= 0.8118835 )
(( attr rmsd >= 9.446175 and attr rmsd <= 9.526175 )
and bondedto ( attr rmsd >= 116.3403 and attr rmsd <= 117.1403 ))
3.0 3.0 0.5999999
peak 383 ppm1 0.7718835 ppm2 9.486175 volume 27000002 weight 1.0
REMARK dnoe: 3.548071 position 8.628093 9.482681
ASSI { 384 }
( attr rmsd >= 9.442681 and attr rmsd <= 9.522681 )
(( attr rmsd >= 8.588093 and attr rmsd <= 8.668093 )
and bondedto ( attr rmsd >= 110.2491 and attr rmsd <= 111.0491 ))
3.6 3.6 1.4
peak 384 ppm1 9.482681 ppm2 8.628093 volume 8260000 weight 1.0
REMARK dnoe: 3.074798 position 8.637963 6.888343
ASSI { 385 }
( attr rmsd >= 6.848343 and attr rmsd <= 6.928343 )
(( attr rmsd >= 8.597963 and attr rmsd <= 8.677963 )
and bondedto ( attr rmsd >= 110.1993 and attr rmsd <= 110.9993 ))
3.6 3.6 1.4
peak 385 ppm1 6.888343 ppm2 8.637963 volume 19500000 weight 1.0
REMARK dnoe: 2.691996 position 8.635243 5.299344
ASSI { 386 }
( attr rmsd >= 5.259344 and attr rmsd <= 5.339344 )
(( attr rmsd >= 8.595243 and attr rmsd <= 8.675243 )
and bondedto ( attr rmsd >= 110.2213 and attr rmsd <= 111.0213 ))
3.0 3.0 0.5999999
peak 386 ppm1 5.299344 ppm2 8.635243 volume 43300000 weight 1.0
REMARK dnoe: 3.403596 position 8.635243 5.020655
ASSI { 387 }
( attr rmsd >= 4.980655 and attr rmsd <= 5.060655 )
(( attr rmsd >= 8.595243 and attr rmsd <= 8.675243 )
and bondedto ( attr rmsd >= 110.2057 and attr rmsd <= 111.0057 ))
3.6 3.6 1.4
peak 387 ppm1 5.020655 ppm2 8.635243 volume 10600000 weight 1.0
REMARK dnoe: 3.531868 position 8.635243 3.935275
ASSI { 389 }
( attr rmsd >= 3.895275 and attr rmsd <= 3.975275 )
(( attr rmsd >= 8.595243 and attr rmsd <= 8.675243 )
and bondedto ( attr rmsd >= 110.2678 and attr rmsd <= 111.0678 ))
3.6 3.6 1.4
peak 389 ppm1 3.935275 ppm2 8.635243 volume 8490000 weight 1.0
REMARK dnoe: 2.568445 position 8.640237 3.275256
ASSI { 390 }
( attr rmsd >= 3.235256 and attr rmsd <= 3.315256 )
(( attr rmsd >= 8.600237 and attr rmsd <= 8.680237 )
and bondedto ( attr rmsd >= 110.2198 and attr rmsd <= 111.0198 ))
3.0 3.0 0.5999999
peak 390 ppm1 3.275256 ppm2 8.640237 volume 57400000 weight 1.0
REMARK dnoe: 2.900074 position 8.630261 1.187631
ASSI { 391 }
( attr rmsd >= 1.147631 and attr rmsd <= 1.227631 )
(( attr rmsd >= 8.590261 and attr rmsd <= 8.670261 )
and bondedto ( attr rmsd >= 110.2307 and attr rmsd <= 111.0307 ))
3.0 3.0 0.5999999
peak 391 ppm1 1.187631 ppm2 8.630261 volume 27700002 weight 1.0
REMARK dnoe: 4.003861 position 8.630261 1.583638
ASSI { 392 }
( attr rmsd >= 1.543638 and attr rmsd <= 1.623638 )
(( attr rmsd >= 8.590261 and attr rmsd <= 8.670261 )
and bondedto ( attr rmsd >= 110.2465 and attr rmsd <= 111.0465 ))
4.2 4.2 1.8
peak 392 ppm1 1.583638 ppm2 8.630261 volume 4000000 weight 1.0
REMARK dnoe: 3.444897 position 8.640237 0.7916243
ASSI { 393 }
( attr rmsd >= 0.7516243 and attr rmsd <= 0.8316243 )
(( attr rmsd >= 8.600237 and attr rmsd <= 8.680237 )
and bondedto ( attr rmsd >= 110.2542 and attr rmsd <= 111.0542 ))
3.6 3.6 1.4
peak 393 ppm1 0.7916243 ppm2 8.640237 volume 9860000 weight 1.0
REMARK dnoe: 3.16161 position 8.630883 4.50379
ASSI { 394 }
( attr rmsd >= 4.46379 and attr rmsd <= 4.54379 )
(( attr rmsd >= 8.590883 and attr rmsd <= 8.670883 )
and bondedto ( attr rmsd >= 110.2792 and attr rmsd <= 111.0792 ))
3.6 3.6 1.4
peak 394 ppm1 4.50379 ppm2 8.630883 volume 16500001 weight 1.0
REMARK dnoe: 3.03947 position 9.448839 5.004291
ASSI { 395 }
( attr rmsd >= 4.964291 and attr rmsd <= 5.044291 )
(( attr rmsd >= 9.408839 and attr rmsd <= 9.488839 )
and bondedto ( attr rmsd >= 111.2489 and attr rmsd <= 112.0489 ))
3.6 3.6 1.4
peak 395 ppm1 5.004291 ppm2 9.448839 volume 20900000 weight 1.0
REMARK dnoe: 2.675765 position 9.448664 4.452961
ASSI { 396 }
( attr rmsd >= 4.412961 and attr rmsd <= 4.492961 )
(( attr rmsd >= 9.408664 and attr rmsd <= 9.488664 )
and bondedto ( attr rmsd >= 111.2577 and attr rmsd <= 112.0577 ))
3.0 3.0 0.5999999
peak 396 ppm1 4.452961 ppm2 9.448664 volume 44900000 weight 1.0
REMARK dnoe: 2.818099 position 9.448534 1.159896
ASSI { 397 }
( attr rmsd >= 1.119896 and attr rmsd <= 1.199896 )
(( attr rmsd >= 9.408534 and attr rmsd <= 9.488534 )
and bondedto ( attr rmsd >= 111.2399 and attr rmsd <= 112.0399 ))
3.0 3.0 0.5999999
peak 397 ppm1 1.159896 ppm2 9.448534 volume 32900000 weight 1.0
REMARK dnoe: 3.198175 position 8.134672 4.375546
ASSI { 398 }
( attr rmsd >= 4.335546 and attr rmsd <= 4.415546 )
(( attr rmsd >= 8.094672 and attr rmsd <= 8.174672 )
and bondedto ( attr rmsd >= 111.8308 and attr rmsd <= 112.6308 ))
3.6 3.6 1.4
peak 398 ppm1 4.375546 ppm2 8.134672 volume 15400000 weight 1.0
REMARK dnoe: 3.281406 position 8.136865 1.163741
ASSI { 399 }
( attr rmsd >= 1.123741 and attr rmsd <= 1.203741 )
(( attr rmsd >= 8.096865 and attr rmsd <= 8.176865 )
and bondedto ( attr rmsd >= 111.8146 and attr rmsd <= 112.6146 ))
3.6 3.6 1.4
peak 399 ppm1 1.163741 ppm2 8.136865 volume 13200000 weight 1.0
REMARK dnoe: 2.916083 position 7.512997 2.895425
ASSI { 400 }
( attr rmsd >= 2.855425 and attr rmsd <= 2.935425 )
(( attr rmsd >= 7.472997 and attr rmsd <= 7.552997 )
and bondedto ( attr rmsd >= 112.5906 and attr rmsd <= 113.3906 ))
3.0 3.0 0.5999999
peak 400 ppm1 2.895425 ppm2 7.512997 volume 26800000 weight 1.0
REMARK dnoe: 2.978541 position 6.84517 2.894745
ASSI { 401 }
( attr rmsd >= 2.854745 and attr rmsd <= 2.934745 )
(( attr rmsd >= 6.80517 and attr rmsd <= 6.88517 )
and bondedto ( attr rmsd >= 112.6072 and attr rmsd <= 113.4072 ))
3.0 3.0 0.5999999
peak 401 ppm1 2.894745 ppm2 6.84517 volume 23600000 weight 1.0
REMARK dnoe: 3.077434 position 7.490607 2.707585
ASSI { 402 }
( attr rmsd >= 2.667585 and attr rmsd <= 2.747585 )
(( attr rmsd >= 7.450607 and attr rmsd <= 7.530607 )
and bondedto ( attr rmsd >= 112.0367 and attr rmsd <= 112.8367 ))
3.6 3.6 1.4
peak 402 ppm1 2.707585 ppm2 7.490607 volume 19400000 weight 1.0
REMARK dnoe: 3.372506 position 6.798339 2.706999
ASSI { 403 }
( attr rmsd >= 2.666999 and attr rmsd <= 2.746999 )
(( attr rmsd >= 6.758339 and attr rmsd <= 6.838339 )
and bondedto ( attr rmsd >= 112.0566 and attr rmsd <= 112.8566 ))
3.6 3.6 1.4
peak 403 ppm1 2.706999 ppm2 6.798339 volume 11200000 weight 1.0
REMARK dnoe: 3.772156 position 7.278536 0.6444135
ASSI { 404 }
( attr rmsd >= 0.6044134 and attr rmsd <= 0.6844135 )
(( attr rmsd >= 7.238536 and attr rmsd <= 7.318536 )
and bondedto ( attr rmsd >= 110.8266 and attr rmsd <= 111.6266 ))
4.2 4.2 1.8
peak 404 ppm1 0.6444135 ppm2 7.278536 volume 5720001 weight 1.0
REMARK dnoe: 2.954022 position 7.280388 2.238008
ASSI { 405 }
( attr rmsd >= 2.198008 and attr rmsd <= 2.278008 )
(( attr rmsd >= 7.240388 and attr rmsd <= 7.320388 )
and bondedto ( attr rmsd >= 110.8524 and attr rmsd <= 111.6524 ))
3.0 3.0 0.5999999
peak 405 ppm1 2.238008 ppm2 7.280388 volume 24800000 weight 1.0
REMARK dnoe: 3.088138 position 6.729141 2.23775
ASSI { 406 }
( attr rmsd >= 2.19775 and attr rmsd <= 2.27775 )
(( attr rmsd >= 6.689141 and attr rmsd <= 6.769141 )
and bondedto ( attr rmsd >= 110.863 and attr rmsd <= 111.663 ))
3.6 3.6 1.4
peak 406 ppm1 2.23775 ppm2 6.729141 volume 19000000 weight 1.0
REMARK dnoe: 3.187908 position 7.206491 1.910061
ASSI { 407 }
( attr rmsd >= 1.870061 and attr rmsd <= 1.950061 )
(( attr rmsd >= 7.166491 and attr rmsd <= 7.246491 )
and bondedto ( attr rmsd >= 110.9015 and attr rmsd <= 111.7015 ))
3.6 3.6 1.4
peak 407 ppm1 1.910061 ppm2 7.206491 volume 15700001 weight 1.0
REMARK dnoe: 3.277281 position 6.727852 1.863453
ASSI { 408 }
( attr rmsd >= 1.823453 and attr rmsd <= 1.903453 )
(( attr rmsd >= 6.687852 and attr rmsd <= 6.767852 )
and bondedto ( attr rmsd >= 110.886 and attr rmsd <= 111.686 ))
3.6 3.6 1.4
peak 408 ppm1 1.863453 ppm2 6.727852 volume 13300000 weight 1.0
REMARK dnoe: 3.387801 position 7.2787 1.932849
ASSI { 409 }
( attr rmsd >= 1.892849 and attr rmsd <= 1.972849 )
(( attr rmsd >= 7.2387 and attr rmsd <= 7.3187 )
and bondedto ( attr rmsd >= 110.8245 and attr rmsd <= 111.6245 ))
3.6 3.6 1.4
peak 409 ppm1 1.932849 ppm2 7.2787 volume 10900000 weight 1.0
REMARK dnoe: 3.230435 position 7.197781 2.175879
ASSI { 410 }
( attr rmsd >= 2.135879 and attr rmsd <= 2.215879 )
(( attr rmsd >= 7.157781 and attr rmsd <= 7.237781 )
and bondedto ( attr rmsd >= 109.6799 and attr rmsd <= 110.4799 ))
3.6 3.6 1.4
peak 410 ppm1 2.175879 ppm2 7.197781 volume 14500000 weight 1.0
REMARK dnoe: 3.480506 position 6.552449 2.175879
ASSI { 411 }
( attr rmsd >= 2.135879 and attr rmsd <= 2.215879 )
(( attr rmsd >= 6.512449 and attr rmsd <= 6.592449 )
and bondedto ( attr rmsd >= 109.6799 and attr rmsd <= 110.4799 ))
3.6 3.6 1.4
peak 411 ppm1 2.175879 ppm2 6.552449 volume 9270000 weight 1.0
REMARK dnoe: 3.509492 position 7.197429 0.7422962
ASSI { 412 }
( attr rmsd >= 0.7022962 and attr rmsd <= 0.7822962 )
(( attr rmsd >= 7.157429 and attr rmsd <= 7.237429 )
and bondedto ( attr rmsd >= 109.6799 and attr rmsd <= 110.4799 ))
3.6 3.6 1.4
peak 412 ppm1 0.7422962 ppm2 7.197429 volume 8820000 weight 1.0
REMARK dnoe: 3.49254 position 6.552941 0.669898
ASSI { 413 }
( attr rmsd >= 0.629898 and attr rmsd <= 0.709898 )
(( attr rmsd >= 6.512941 and attr rmsd <= 6.592941 )
and bondedto ( attr rmsd >= 109.6998 and attr rmsd <= 110.4998 ))
3.6 3.6 1.4
peak 413 ppm1 0.669898 ppm2 6.552941 volume 9080000 weight 1.0
REMARK dnoe: 3.029882 position 6.365218 1.909686
ASSI { 414 }
( attr rmsd >= 1.869686 and attr rmsd <= 1.949686 )
(( attr rmsd >= 6.325218 and attr rmsd <= 6.405218 )
and bondedto ( attr rmsd >= 109.6668 and attr rmsd <= 110.4668 ))
3.6 3.6 1.4
peak 414 ppm1 1.909686 ppm2 6.365218 volume 21300000 weight 1.0
REMARK dnoe: 3.794599 position 6.505653 7.312813
ASSI { 415 }
( attr rmsd >= 7.272813 and attr rmsd <= 7.352813 )
(( attr rmsd >= 6.465653 and attr rmsd <= 6.545653 )
and bondedto ( attr rmsd >= 111.9568 and attr rmsd <= 112.7568 ))
4.2 4.2 1.8
peak 415 ppm1 7.312813 ppm2 6.505653 volume 5520000 weight 1.0
REMARK dnoe: 4.007208 position 6.505512 6.958092
ASSI { 416 }
( attr rmsd >= 6.918092 and attr rmsd <= 6.998092 )
(( attr rmsd >= 6.465512 and attr rmsd <= 6.545512 )
and bondedto ( attr rmsd >= 111.9568 and attr rmsd <= 112.7568 ))
4.2 4.2 1.8
peak 416 ppm1 6.958092 ppm2 6.505512 volume 3980000 weight 1.0
REMARK dnoe: 3.142845 position 6.50645 2.191236
ASSI { 417 }
( attr rmsd >= 2.151236 and attr rmsd <= 2.231236 )
(( attr rmsd >= 6.46645 and attr rmsd <= 6.54645 )
and bondedto ( attr rmsd >= 111.93 and attr rmsd <= 112.73 ))
3.6 3.6 1.4
peak 417 ppm1 2.191236 ppm2 6.50645 volume 17100000 weight 1.0
REMARK dnoe: 2.978541 position 6.506485 1.933177
ASSI { 418 }
( attr rmsd >= 1.893177 and attr rmsd <= 1.973177 )
(( attr rmsd >= 6.466485 and attr rmsd <= 6.546485 )
and bondedto ( attr rmsd >= 111.9339 and attr rmsd <= 112.7339 ))
3.0 3.0 0.5999999
peak 418 ppm1 1.933177 ppm2 6.506485 volume 23600000 weight 1.0
REMARK dnoe: 3.338601 position 6.508665 1.35777
ASSI { 419 }
( attr rmsd >= 1.31777 and attr rmsd <= 1.39777 )
(( attr rmsd >= 6.468665 and attr rmsd <= 6.548665 )
and bondedto ( attr rmsd >= 111.9179 and attr rmsd <= 112.7179 ))
3.6 3.6 1.4
peak 419 ppm1 1.35777 ppm2 6.508665 volume 11900000 weight 1.0
REMARK dnoe: 2.735837 position 6.505758 0.7619898
ASSI { 420 }
( attr rmsd >= 0.7219898 and attr rmsd <= 0.8019898 )
(( attr rmsd >= 6.465758 and attr rmsd <= 6.545758 )
and bondedto ( attr rmsd >= 111.9241 and attr rmsd <= 112.7241 ))
3.0 3.0 0.5999999
peak 420 ppm1 0.7619898 ppm2 6.505758 volume 39300000 weight 1.0
REMARK dnoe: 3.029882 position 6.505688 0.2690845
ASSI { 421 }
( attr rmsd >= 0.2290845 and attr rmsd <= 0.3090845 )
(( attr rmsd >= 6.465688 and attr rmsd <= 6.545688 )
and bondedto ( attr rmsd >= 111.9185 and attr rmsd <= 112.7185 ))
3.6 3.6 1.4
peak 421 ppm1 0.2690845 ppm2 6.505688 volume 21300000 weight 1.0
REMARK dnoe: 3.006802 position 6.505981 6.20094
ASSI { 422 }
( attr rmsd >= 6.16094 and attr rmsd <= 6.24094 )
(( attr rmsd >= 6.465981 and attr rmsd <= 6.545981 )
and bondedto ( attr rmsd >= 111.8241 and attr rmsd <= 112.6241 ))
3.6 3.6 1.4
peak 422 ppm1 6.20094 ppm2 6.505981 volume 22300000 weight 1.0
REMARK dnoe: 3.949791 position 6.515945 4.090176
ASSI { 423 }
( attr rmsd >= 4.050176 and attr rmsd <= 4.130176 )
(( attr rmsd >= 6.475945 and attr rmsd <= 6.555945 )
and bondedto ( attr rmsd >= 111.9825 and attr rmsd <= 112.7825 ))
4.2 4.2 1.8
peak 423 ppm1 4.090176 ppm2 6.515945 volume 4340000 weight 1.0
REMARK dnoe: 3.454303 position 6.506684 1.220876
ASSI { 424 }
( attr rmsd >= 1.180876 and attr rmsd <= 1.260876 )
(( attr rmsd >= 6.466684 and attr rmsd <= 6.546684 )
and bondedto ( attr rmsd >= 111.9058 and attr rmsd <= 112.7058 ))
3.6 3.6 1.4
peak 424 ppm1 1.220876 ppm2 6.506684 volume 9700000 weight 1.0
REMARK dnoe: 3.096341 position 7.139484 2.636336
ASSI { 425 }
( attr rmsd >= 2.596336 and attr rmsd <= 2.676336 )
(( attr rmsd >= 7.099484 and attr rmsd <= 7.179484 )
and bondedto ( attr rmsd >= 108.6625 and attr rmsd <= 109.4625 ))
3.6 3.6 1.4
peak 425 ppm1 2.636336 ppm2 7.139484 volume 18700000 weight 1.0
REMARK dnoe: 3.3433 position 7.14224 1.889734
ASSI { 426 }
( attr rmsd >= 1.849734 and attr rmsd <= 1.929734 )
(( attr rmsd >= 7.10224 and attr rmsd <= 7.18224 )
and bondedto ( attr rmsd >= 108.616 and attr rmsd <= 109.416 ))
3.6 3.6 1.4
peak 426 ppm1 1.889734 ppm2 7.14224 volume 11800000 weight 1.0
REMARK dnoe: 3.357681 position 7.149894 1.753145
ASSI { 427 }
( attr rmsd >= 1.713145 and attr rmsd <= 1.793145 )
(( attr rmsd >= 7.109894 and attr rmsd <= 7.189894 )
and bondedto ( attr rmsd >= 108.616 and attr rmsd <= 109.416 ))
3.6 3.6 1.4
peak 427 ppm1 1.753145 ppm2 7.149894 volume 11500000 weight 1.0
REMARK dnoe: 2.934623 position 7.14224 1.419243
ASSI { 428 }
( attr rmsd >= 1.379243 and attr rmsd <= 1.459243 )
(( attr rmsd >= 7.10224 and attr rmsd <= 7.18224 )
and bondedto ( attr rmsd >= 108.6473 and attr rmsd <= 109.4473 ))
3.0 3.0 0.5999999
peak 428 ppm1 1.419243 ppm2 7.14224 volume 25799998 weight 1.0
REMARK dnoe: 3.382649 position 7.151805 0.694562
ASSI { 429 }
( attr rmsd >= 0.654562 and attr rmsd <= 0.734562 )
(( attr rmsd >= 7.111805 and attr rmsd <= 7.191805 )
and bondedto ( attr rmsd >= 108.6301 and attr rmsd <= 109.4301 ))
3.6 3.6 1.4
peak 429 ppm1 0.694562 ppm2 7.151805 volume 11000000 weight 1.0
REMARK dnoe: 2.855464 position 9.84705 7.350277
ASSI { 430 }
( attr rmsd >= 7.310277 and attr rmsd <= 7.390277 )
(( attr rmsd >= 9.80705 and attr rmsd <= 9.88705 )
and bondedto ( attr rmsd >= 128.2092 and attr rmsd <= 129.0092 ))
3.0 3.0 0.5999999
peak 430 ppm1 7.350277 ppm2 9.84705 volume 30400000 weight 1.0
REMARK dnoe: 2.58523 position 9.846674 6.625901
ASSI { 431 }
( attr rmsd >= 6.585901 and attr rmsd <= 6.665901 )
(( attr rmsd >= 9.806674 and attr rmsd <= 9.886674 )
and bondedto ( attr rmsd >= 128.2051 and attr rmsd <= 129.0051 ))
3.0 3.0 0.5999999
peak 431 ppm1 6.625901 ppm2 9.846674 volume 55200000 weight 1.0
REMARK dnoe: 3.09359 position 9.846252 6.8758
ASSI { 432 }
( attr rmsd >= 6.8358 and attr rmsd <= 6.9158 )
(( attr rmsd >= 9.806252 and attr rmsd <= 9.886252 )
and bondedto ( attr rmsd >= 128.2543 and attr rmsd <= 129.0543 ))
3.6 3.6 1.4
peak 432 ppm1 6.8758 ppm2 9.846252 volume 18800000 weight 1.0
REMARK dnoe: 3.446063 position 9.846453 7.027981
ASSI { 433 }
( attr rmsd >= 6.987981 and attr rmsd <= 7.067981 )
(( attr rmsd >= 9.806453 and attr rmsd <= 9.886453 )
and bondedto ( attr rmsd >= 128.2543 and attr rmsd <= 129.0543 ))
3.6 3.6 1.4
peak 433 ppm1 7.027981 ppm2 9.846453 volume 9840000 weight 1.0
REMARK dnoe: 3.09359 position 9.84528 1.506481
ASSI { 434 }
( attr rmsd >= 1.466481 and attr rmsd <= 1.546481 )
(( attr rmsd >= 9.80528 and attr rmsd <= 9.88528 )
and bondedto ( attr rmsd >= 128.1738 and attr rmsd <= 128.9738 ))
3.6 3.6 1.4
peak 434 ppm1 1.506481 ppm2 9.84528 volume 18800000 weight 1.0
REMARK dnoe: 3.201649 position 9.848082 1.094297
ASSI { 435 }
( attr rmsd >= 1.054297 and attr rmsd <= 1.134297 )
(( attr rmsd >= 9.808082 and attr rmsd <= 9.888082 )
and bondedto ( attr rmsd >= 128.1963 and attr rmsd <= 128.9963 ))
3.6 3.6 1.4
peak 435 ppm1 1.094297 ppm2 9.848082 volume 15300000 weight 1.0
REMARK dnoe: 3.784384 position 9.847858 0.6139116
ASSI { 436 }
( attr rmsd >= 0.5739116 and attr rmsd <= 0.6539117 )
(( attr rmsd >= 9.807858 and attr rmsd <= 9.887858 )
and bondedto ( attr rmsd >= 128.1978 and attr rmsd <= 128.9978 ))
4.2 4.2 1.8
peak 436 ppm1 0.6139116 ppm2 9.847858 volume 5610000 weight 1.0
REMARK dnoe: 3.625208 position 9.847858 0.4609342
ASSI { 437 }
( attr rmsd >= 0.4209342 and attr rmsd <= 0.5009342 )
(( attr rmsd >= 9.807858 and attr rmsd <= 9.887858 )
and bondedto ( attr rmsd >= 128.2342 and attr rmsd <= 129.0342 ))
4.2 4.2 1.8
peak 437 ppm1 0.4609342 ppm2 9.847858 volume 7260000 weight 1.0
REMARK dnoe: 3.184536 position 9.846674 0.1715074
ASSI { 438 }
( attr rmsd >= 0.1315074 and attr rmsd <= 0.2115074 )
(( attr rmsd >= 9.806674 and attr rmsd <= 9.886674 )
and bondedto ( attr rmsd >= 128.2209 and attr rmsd <= 129.0209 ))
3.6 3.6 1.4
peak 438 ppm1 0.1715074 ppm2 9.846674 volume 15800001 weight 1.0
REMARK dnoe: 2.995711 position 9.850226 -0.0976629
ASSI { 439 }
( attr rmsd >= -0.1376629 and attr rmsd <= -0.0576629 )
(( attr rmsd >= 9.810226 and attr rmsd <= 9.890226 )
and bondedto ( attr rmsd >= 128.1951 and attr rmsd <= 128.9951 ))
3.0 3.0 0.5999999
peak 439 ppm1 -0.0976629 ppm2 9.850226 volume 22800000 weight 1.0
REMARK dnoe: 3.004561 position 9.847858 -0.1749139
ASSI { 440 }
( attr rmsd >= -0.2149139 and attr rmsd <= -0.1349139 )
(( attr rmsd >= 9.807858 and attr rmsd <= 9.887858 )
and bondedto ( attr rmsd >= 128.1951 and attr rmsd <= 128.9951 ))
3.6 3.6 1.4
peak 440 ppm1 -0.1749139 ppm2 9.847858 volume 22400000 weight 1.0
REMARK dnoe: 2.38561 position 10.01148 7.305357
ASSI { 442 }
( attr rmsd >= 7.265357 and attr rmsd <= 7.345357 )
(( attr rmsd >= 9.97148 and attr rmsd <= 10.05148 )
and bondedto ( attr rmsd >= 130.0116 and attr rmsd <= 130.8116 ))
2.5 2.5 0.2
peak 442 ppm1 7.305357 ppm2 10.01148 volume 89400000 weight 1.0
REMARK dnoe: 3.3433 position 10.0133 0.7765491
ASSI { 443 }
( attr rmsd >= 0.7365491 and attr rmsd <= 0.8165491 )
(( attr rmsd >= 9.9733 and attr rmsd <= 10.0533 )
and bondedto ( attr rmsd >= 130.0917 and attr rmsd <= 130.8917 ))
3.6 3.6 1.4
peak 443 ppm1 0.7765491 ppm2 10.0133 volume 11800000 weight 1.0
REMARK dnoe: 3.594514 position 10.00985 1.906216
ASSI { 444 }
( attr rmsd >= 1.866216 and attr rmsd <= 1.946216 )
(( attr rmsd >= 9.96985 and attr rmsd <= 10.04985 )
and bondedto ( attr rmsd >= 130.0518 and attr rmsd <= 130.8518 ))
3.6 3.6 1.4
peak 444 ppm1 1.906216 ppm2 10.00985 volume 7640000 weight 1.0
REMARK dnoe: 3.699308 position 10.0122 2.804178
ASSI { 445 }
( attr rmsd >= 2.764178 and attr rmsd <= 2.844178 )
(( attr rmsd >= 9.9722 and attr rmsd <= 10.0522 )
and bondedto ( attr rmsd >= 130.0717 and attr rmsd <= 130.8717 ))
4.2 4.2 1.8
peak 445 ppm1 2.804178 ppm2 10.0122 volume 6430000 weight 1.0
REMARK dnoe: 3.642125 position 10.0125 1.421048
ASSI { 446 }
( attr rmsd >= 1.381048 and attr rmsd <= 1.461048 )
(( attr rmsd >= 9.9725 and attr rmsd <= 10.0525 )
and bondedto ( attr rmsd >= 130.1715 and attr rmsd <= 130.9715 ))
4.2 4.2 1.8
peak 446 ppm1 1.421048 ppm2 10.0125 volume 0.706e+07 weight 1.0
REMARK dnoe: 3.315778 position 9.422264 0.7022285
ASSI { 447 }
( attr rmsd >= 0.6622285 and attr rmsd <= 0.7422285 )
(( attr rmsd >= 9.382264 and attr rmsd <= 9.462264 )
and bondedto ( attr rmsd >= 126.0573 and attr rmsd <= 126.8573 ))
3.6 3.6 1.4
peak 447 ppm1 0.7022285 ppm2 9.422264 volume 12400000 weight 1.0
REMARK dnoe: 3.457279 position 9.428629 1.093735
ASSI { 448 }
( attr rmsd >= 1.053735 and attr rmsd <= 1.133735 )
(( attr rmsd >= 9.388629 and attr rmsd <= 9.468629 )
and bondedto ( attr rmsd >= 126.0972 and attr rmsd <= 126.8972 ))
3.6 3.6 1.4
peak 448 ppm1 1.093735 ppm2 9.428629 volume 9650000 weight 1.0
REMARK dnoe: 2.843129 position 9.419075 1.514288
ASSI { 449 }
( attr rmsd >= 1.474288 and attr rmsd <= 1.554288 )
(( attr rmsd >= 9.379075 and attr rmsd <= 9.459075 )
and bondedto ( attr rmsd >= 126.0772 and attr rmsd <= 126.8772 ))
3.0 3.0 0.5999999
peak 449 ppm1 1.514288 ppm2 9.419075 volume 31200000 weight 1.0
REMARK dnoe: 2.984899 position 9.42067 1.934819
ASSI { 450 }
( attr rmsd >= 1.894819 and attr rmsd <= 1.974819 )
(( attr rmsd >= 9.38067 and attr rmsd <= 9.46067 )
and bondedto ( attr rmsd >= 126.0372 and attr rmsd <= 126.8372 ))
3.0 3.0 0.5999999
peak 450 ppm1 1.934819 ppm2 9.42067 volume 23300000 weight 1.0
REMARK dnoe: 2.801324 position 9.415887 1.804302
ASSI { 451 }
( attr rmsd >= 1.764302 and attr rmsd <= 1.844302 )
(( attr rmsd >= 9.375887 and attr rmsd <= 9.455887 )
and bondedto ( attr rmsd >= 126.0372 and attr rmsd <= 126.8372 ))
3.0 3.0 0.5999999
peak 451 ppm1 1.804302 ppm2 9.415887 volume 34100000 weight 1.0
REMARK dnoe: 3.548788 position 8.4629 5.055541
ASSI { 452 }
( attr rmsd >= 5.015541 and attr rmsd <= 5.095541 )
(( attr rmsd >= 8.4229 and attr rmsd <= 8.5029 )
and bondedto ( attr rmsd >= 125.4491 and attr rmsd <= 126.2491 ))
3.6 3.6 1.4
peak 452 ppm1 5.055541 ppm2 8.4629 volume 8250000 weight 1.0
REMARK dnoe: 2.623858 position 8.462971 4.252882
ASSI { 454 }
( attr rmsd >= 4.212882 and attr rmsd <= 4.292882 )
(( attr rmsd >= 8.422971 and attr rmsd <= 8.502971 )
and bondedto ( attr rmsd >= 125.4274 and attr rmsd <= 126.2274 ))
3.0 3.0 0.5999999
peak 454 ppm1 4.252882 ppm2 8.462971 volume 50500000 weight 1.0
REMARK dnoe: 2.806838 position 8.465093 2.241431
ASSI { 455 }
( attr rmsd >= 2.201431 and attr rmsd <= 2.281431 )
(( attr rmsd >= 8.425093 and attr rmsd <= 8.505093 )
and bondedto ( attr rmsd >= 125.419 and attr rmsd <= 126.219 ))
3.0 3.0 0.5999999
peak 455 ppm1 2.241431 ppm2 8.465093 volume 33700000 weight 1.0
REMARK dnoe: 2.758526 position 8.467297 1.822119
ASSI { 456 }
( attr rmsd >= 1.782119 and attr rmsd <= 1.862119 )
(( attr rmsd >= 8.427297 and attr rmsd <= 8.507297 )
and bondedto ( attr rmsd >= 125.426 and attr rmsd <= 126.226 ))
3.0 3.0 0.5999999
peak 456 ppm1 1.822119 ppm2 8.467297 volume 37400000 weight 1.0
REMARK dnoe: 2.927108 position 8.4629 0.758707
ASSI { 457 }
( attr rmsd >= 0.718707 and attr rmsd <= 0.798707 )
(( attr rmsd >= 8.4229 and attr rmsd <= 8.5029 )
and bondedto ( attr rmsd >= 125.4442 and attr rmsd <= 126.2442 ))
3.0 3.0 0.5999999
peak 457 ppm1 0.758707 ppm2 8.4629 volume 26200000 weight 1.0
REMARK dnoe: 3.830104 position 8.471692 1.307716
ASSI { 458 }
( attr rmsd >= 1.267716 and attr rmsd <= 1.347716 )
(( attr rmsd >= 8.431692 and attr rmsd <= 8.511692 )
and bondedto ( attr rmsd >= 125.478 and attr rmsd <= 126.278 ))
4.2 4.2 1.8
peak 458 ppm1 1.307716 ppm2 8.471692 volume 5220000 weight 1.0
REMARK dnoe: 3.198175 position 6.698991 1.782779
ASSI { 459 }
( attr rmsd >= 1.742779 and attr rmsd <= 1.822779 )
(( attr rmsd >= 6.658991 and attr rmsd <= 6.738991 )
and bondedto ( attr rmsd >= 110.9782 and attr rmsd <= 111.7782 ))
3.6 3.6 1.4
peak 459 ppm1 1.782779 ppm2 6.698991 volume 15400000 weight 1.0
Contact the webmaster for help, if required. Friday, April 19, 2024 6:15:34 AM GMT (wattos1)