NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20592 |
2g46   |
6997 | cing | 1-original | 4 | XPLOR/CNS | peak |
! F3 (1H): 0.03 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.03 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 129.805 and attr rmsd > 129.205 ))
( attr rmsd < 2.579 and attr rmsd > 2.519 )
6 6 0 peak 21 volume 21.04750 ppm1 8.353 ppm2 2.549
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 129.828 and attr rmsd > 129.228 ))
( attr rmsd < 1.559 and attr rmsd > 1.499 )
6 6 0 peak 31 volume 136.82590 ppm1 8.353 ppm2 1.529
assi (( attr rmsd < 9.103 and attr rmsd > 9.043 )
and bondedto( attr rmsd < 128.998 and attr rmsd > 128.398 ))
( attr rmsd < 0.924 and attr rmsd > 0.864 )
6 6 0 peak 61 volume 58.83340 ppm1 9.073 ppm2 0.894
assi (( attr rmsd < 9.103 and attr rmsd > 9.043 )
and bondedto( attr rmsd < 129.003 and attr rmsd > 128.403 ))
( attr rmsd < 3.975 and attr rmsd > 3.915 )
6 6 0 peak 81 volume 45.39610 ppm1 9.073 ppm2 3.945
assi (( attr rmsd < 8.578 and attr rmsd > 8.518 )
and bondedto( attr rmsd < 127.541 and attr rmsd > 126.941 ))
( attr rmsd < 1.876 and attr rmsd > 1.816 )
6 6 0 peak 161 volume 93.86570 ppm1 8.548 ppm2 1.846
assi (( attr rmsd < 7.831 and attr rmsd > 7.771 )
and bondedto( attr rmsd < 127.607 and attr rmsd > 127.007 ))
( attr rmsd < 4.691 and attr rmsd > 4.631 )
6 6 0 peak 201 volume 33.41210 ppm1 7.801 ppm2 4.661
assi (( attr rmsd < 9.344 and attr rmsd > 9.284 )
and bondedto( attr rmsd < 126.781 and attr rmsd > 126.181 ))
( attr rmsd < 0.953 and attr rmsd > 0.893 )
6 6 0 peak 261 volume 63.66780 ppm1 9.314 ppm2 0.923
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 126.859 and attr rmsd > 126.259 ))
( attr rmsd < 4.69 and attr rmsd > 4.63 )
6 6 0 peak 281 volume 53.85850 ppm1 8.623 ppm2 4.660
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 126.886 and attr rmsd > 126.286 ))
( attr rmsd < 2.124 and attr rmsd > 2.064 )
6 6 0 peak 291 volume 70.66550 ppm1 8.623 ppm2 2.094
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 126.869 and attr rmsd > 126.269 ))
( attr rmsd < 1.896 and attr rmsd > 1.836 )
6 6 0 peak 301 volume 123.36350 ppm1 8.623 ppm2 1.866
assi (( attr rmsd < 9.344 and attr rmsd > 9.284 )
and bondedto( attr rmsd < 126.85 and attr rmsd > 126.25 ))
( attr rmsd < 8.957 and attr rmsd > 8.897 )
6 6 0 peak 341 volume 88.11560 ppm1 9.314 ppm2 8.927
assi (( attr rmsd < 9.344 and attr rmsd > 9.284 )
and bondedto( attr rmsd < 126.85 and attr rmsd > 126.25 ))
( attr rmsd < 7.462 and attr rmsd > 7.402 )
6 6 0 peak 361 volume 82.93740 ppm1 9.314 ppm2 7.432
assi (( attr rmsd < 9.344 and attr rmsd > 9.284 )
and bondedto( attr rmsd < 126.85 and attr rmsd > 126.25 ))
( attr rmsd < 1.063 and attr rmsd > 1.003 )
6 6 0 peak 371 volume 155.69940 ppm1 9.314 ppm2 1.033
assi (( attr rmsd < 8.802 and attr rmsd > 8.742 )
and bondedto( attr rmsd < 125.639 and attr rmsd > 125.039 ))
( attr rmsd < 7.255 and attr rmsd > 7.195 )
6 6 0 peak 421 volume 28.36280 ppm1 8.772 ppm2 7.225
assi (( attr rmsd < 8.802 and attr rmsd > 8.742 )
and bondedto( attr rmsd < 125.63 and attr rmsd > 125.03 ))
( attr rmsd < 6.916 and attr rmsd > 6.856 )
6 6 0 peak 431 volume 28.25490 ppm1 8.772 ppm2 6.886
assi (( attr rmsd < 8.802 and attr rmsd > 8.742 )
and bondedto( attr rmsd < 125.637 and attr rmsd > 125.037 ))
( attr rmsd < 1.169 and attr rmsd > 1.109 )
6 6 0 peak 451 volume 48.98000 ppm1 8.772 ppm2 1.139
assi (( attr rmsd < 8.802 and attr rmsd > 8.742 )
and bondedto( attr rmsd < 125.619 and attr rmsd > 125.019 ))
( attr rmsd < 2.523 and attr rmsd > 2.463 )
6 6 0 peak 471 volume 106.66660 ppm1 8.772 ppm2 2.493
assi (( attr rmsd < 8.73 and attr rmsd > 8.67 )
and bondedto( attr rmsd < 124.989 and attr rmsd > 124.389 ))
( attr rmsd < 0.399 and attr rmsd > 0.339 )
6 6 0 peak 591 volume 51.39440 ppm1 8.700 ppm2 0.369
assi (( attr rmsd < 8.73 and attr rmsd > 8.67 )
and bondedto( attr rmsd < 124.973 and attr rmsd > 124.373 ))
( attr rmsd < 0.057 and attr rmsd > -0.003 )
6 6 0 peak 601 volume 67.84690 ppm1 8.700 ppm2 0.027
assi (( attr rmsd < 8.037 and attr rmsd > 7.977 )
and bondedto( attr rmsd < 124.793 and attr rmsd > 124.193 ))
( attr rmsd < 2.328 and attr rmsd > 2.268 )
6 6 0 peak 671 volume 39.80440 ppm1 8.007 ppm2 2.298
assi (( attr rmsd < 8.037 and attr rmsd > 7.977 )
and bondedto( attr rmsd < 124.775 and attr rmsd > 124.175 ))
( attr rmsd < 1.262 and attr rmsd > 1.202 )
6 6 0 peak 681 volume 37.06140 ppm1 8.007 ppm2 1.232
assi (( attr rmsd < 8.703 and attr rmsd > 8.643 )
and bondedto( attr rmsd < 124.4 and attr rmsd > 123.8 ))
( attr rmsd < 3.804 and attr rmsd > 3.744 )
6 6 0 peak 701 volume 80.82500 ppm1 8.673 ppm2 3.774
assi (( attr rmsd < 8.948 and attr rmsd > 8.888 )
and bondedto( attr rmsd < 124.2 and attr rmsd > 123.6 ))
( attr rmsd < 1.604 and attr rmsd > 1.544 )
6 6 0 peak 711 volume 120.43430 ppm1 8.918 ppm2 1.574
assi (( attr rmsd < 8.703 and attr rmsd > 8.643 )
and bondedto( attr rmsd < 124.401 and attr rmsd > 123.801 ))
( attr rmsd < 4.685 and attr rmsd > 4.625 )
6 6 0 peak 751 volume 189.15100 ppm1 8.673 ppm2 4.655
assi (( attr rmsd < 8.703 and attr rmsd > 8.643 )
and bondedto( attr rmsd < 124.434 and attr rmsd > 123.834 ))
( attr rmsd < 0.854 and attr rmsd > 0.794 )
6 6 0 peak 771 volume 341.38580 ppm1 8.673 ppm2 0.824
assi (( attr rmsd < 9.216 and attr rmsd > 9.156 )
and bondedto( attr rmsd < 124.246 and attr rmsd > 123.646 ))
( attr rmsd < 0.827 and attr rmsd > 0.767 )
6 6 0 peak 791 volume 35.76050 ppm1 9.186 ppm2 0.797
assi (( attr rmsd < 8.948 and attr rmsd > 8.888 )
and bondedto( attr rmsd < 124.307 and attr rmsd > 123.707 ))
( attr rmsd < 2.032 and attr rmsd > 1.972 )
6 6 0 peak 811 volume 152.76640 ppm1 8.918 ppm2 2.002
assi (( attr rmsd < 8.703 and attr rmsd > 8.643 )
and bondedto( attr rmsd < 124.4 and attr rmsd > 123.8 ))
( attr rmsd < 7.256 and attr rmsd > 7.196 )
6 6 0 peak 831 volume 139.72130 ppm1 8.673 ppm2 7.226
assi (( attr rmsd < 8.703 and attr rmsd > 8.643 )
and bondedto( attr rmsd < 124.4 and attr rmsd > 123.8 ))
( attr rmsd < 1.58 and attr rmsd > 1.52 )
6 6 0 peak 861 volume 342.03470 ppm1 8.673 ppm2 1.550
assi (( attr rmsd < 8.64 and attr rmsd > 8.58 )
and bondedto( attr rmsd < 124.134 and attr rmsd > 123.534 ))
( attr rmsd < 1.829 and attr rmsd > 1.769 )
6 6 0 peak 911 volume 39.58420 ppm1 8.610 ppm2 1.799
assi (( attr rmsd < 8.64 and attr rmsd > 8.58 )
and bondedto( attr rmsd < 124.142 and attr rmsd > 123.542 ))
( attr rmsd < 0.854 and attr rmsd > 0.794 )
6 6 0 peak 921 volume 68.57440 ppm1 8.610 ppm2 0.824
assi (( attr rmsd < 8.64 and attr rmsd > 8.58 )
and bondedto( attr rmsd < 124.077 and attr rmsd > 123.477 ))
( attr rmsd < 2.512 and attr rmsd > 2.452 )
6 6 0 peak 941 volume 155.65199 ppm1 8.610 ppm2 2.482
assi (( attr rmsd < 8.337 and attr rmsd > 8.277 )
and bondedto( attr rmsd < 124.069 and attr rmsd > 123.469 ))
( attr rmsd < 7.51 and attr rmsd > 7.45 )
6 6 0 peak 961 volume 43.89650 ppm1 8.307 ppm2 7.480
assi (( attr rmsd < 8.337 and attr rmsd > 8.277 )
and bondedto( attr rmsd < 124.043 and attr rmsd > 123.443 ))
( attr rmsd < 4.893 and attr rmsd > 4.833 )
6 6 0 peak 971 volume 360.95151 ppm1 8.307 ppm2 4.863
assi (( attr rmsd < 8.337 and attr rmsd > 8.277 )
and bondedto( attr rmsd < 124.08 and attr rmsd > 123.48 ))
( attr rmsd < 3.241 and attr rmsd > 3.181 )
6 6 0 peak 991 volume 44.26960 ppm1 8.307 ppm2 3.211
assi (( attr rmsd < 8.337 and attr rmsd > 8.277 )
and bondedto( attr rmsd < 124.062 and attr rmsd > 123.462 ))
( attr rmsd < 7.929 and attr rmsd > 7.869 )
6 6 0 peak 1001 volume 33.85900 ppm1 8.307 ppm2 7.899
assi (( attr rmsd < 8.834 and attr rmsd > 8.774 )
and bondedto( attr rmsd < 123.373 and attr rmsd > 122.773 ))
( attr rmsd < 1.04 and attr rmsd > 0.98 )
6 6 0 peak 1031 volume 61.51890 ppm1 8.804 ppm2 1.010
assi (( attr rmsd < 7.798 and attr rmsd > 7.738 )
and bondedto( attr rmsd < 123.014 and attr rmsd > 122.414 ))
( attr rmsd < 1.808 and attr rmsd > 1.748 )
6 6 0 peak 1131 volume 148.79961 ppm1 7.768 ppm2 1.778
assi (( attr rmsd < 9.431 and attr rmsd > 9.371 )
and bondedto( attr rmsd < 122.731 and attr rmsd > 122.131 ))
( attr rmsd < 2.034 and attr rmsd > 1.974 )
6 6 0 peak 1221 volume 77.98420 ppm1 9.401 ppm2 2.004
assi (( attr rmsd < 9.222 and attr rmsd > 9.162 )
and bondedto( attr rmsd < 122.659 and attr rmsd > 122.059 ))
( attr rmsd < 1.103 and attr rmsd > 1.043 )
6 6 0 peak 1231 volume 25.81600 ppm1 9.192 ppm2 1.073
assi (( attr rmsd < 8.956 and attr rmsd > 8.896 )
and bondedto( attr rmsd < 122.678 and attr rmsd > 122.078 ))
( attr rmsd < 3.789 and attr rmsd > 3.729 )
6 6 0 peak 1281 volume 32.09440 ppm1 8.926 ppm2 3.759
assi (( attr rmsd < 8.956 and attr rmsd > 8.896 )
and bondedto( attr rmsd < 122.612 and attr rmsd > 122.012 ))
( attr rmsd < 2.517 and attr rmsd > 2.457 )
6 6 0 peak 1291 volume 61.87190 ppm1 8.926 ppm2 2.487
assi (( attr rmsd < 8.179 and attr rmsd > 8.119 )
and bondedto( attr rmsd < 122.388 and attr rmsd > 121.788 ))
( attr rmsd < 1.081 and attr rmsd > 1.021 )
6 6 0 peak 1521 volume 48.28240 ppm1 8.149 ppm2 1.051
assi (( attr rmsd < 8.019 and attr rmsd > 7.959 )
and bondedto( attr rmsd < 121.937 and attr rmsd > 121.337 ))
( attr rmsd < 4.667 and attr rmsd > 4.607 )
6 6 0 peak 1531 volume 30.91110 ppm1 7.989 ppm2 4.637
assi (( attr rmsd < 8.351 and attr rmsd > 8.291 )
and bondedto( attr rmsd < 121.767 and attr rmsd > 121.167 ))
( attr rmsd < 0.377 and attr rmsd > 0.317 )
6 6 0 peak 1561 volume 126.08660 ppm1 8.321 ppm2 0.347
assi (( attr rmsd < 8.351 and attr rmsd > 8.291 )
and bondedto( attr rmsd < 121.819 and attr rmsd > 121.219 ))
( attr rmsd < 0.059 and attr rmsd > -0.001 )
6 6 0 peak 1571 volume 29.74530 ppm1 8.321 ppm2 0.029
assi (( attr rmsd < 8.351 and attr rmsd > 8.291 )
and bondedto( attr rmsd < 121.763 and attr rmsd > 121.163 ))
( attr rmsd < 5.349 and attr rmsd > 5.289 )
6 6 0 peak 1581 volume 37.11920 ppm1 8.321 ppm2 5.319
assi (( attr rmsd < 9.477 and attr rmsd > 9.417 )
and bondedto( attr rmsd < 121.547 and attr rmsd > 120.947 ))
( attr rmsd < 1.827 and attr rmsd > 1.767 )
6 6 0 peak 1621 volume 33.16280 ppm1 9.447 ppm2 1.797
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 121.478 and attr rmsd > 120.878 ))
( attr rmsd < 3.964 and attr rmsd > 3.904 )
6 6 0 peak 1691 volume 37.68730 ppm1 8.353 ppm2 3.934
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 121.503 and attr rmsd > 120.903 ))
( attr rmsd < 1.349 and attr rmsd > 1.289 )
6 6 0 peak 1721 volume 259.26410 ppm1 8.353 ppm2 1.319
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 121.498 and attr rmsd > 120.898 ))
( attr rmsd < 0.943 and attr rmsd > 0.883 )
6 6 0 peak 1731 volume 196.38860 ppm1 8.353 ppm2 0.913
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.262 and attr rmsd > 120.662 ))
( attr rmsd < 1.466 and attr rmsd > 1.406 )
6 6 0 peak 1761 volume 44.20150 ppm1 8.117 ppm2 1.436
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.288 and attr rmsd > 120.688 ))
( attr rmsd < 0.626 and attr rmsd > 0.566 )
6 6 0 peak 1771 volume 81.26560 ppm1 8.117 ppm2 0.596
assi (( attr rmsd < 8.148 and attr rmsd > 8.088 )
and bondedto( attr rmsd < 121.283 and attr rmsd > 120.683 ))
( attr rmsd < 5.101 and attr rmsd > 5.041 )
6 6 0 peak 1791 volume 261.02380 ppm1 8.118 ppm2 5.071
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.26 and attr rmsd > 120.66 ))
( attr rmsd < 2.243 and attr rmsd > 2.183 )
6 6 0 peak 1811 volume 33.45860 ppm1 8.117 ppm2 2.213
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.262 and attr rmsd > 120.662 ))
( attr rmsd < 1.761 and attr rmsd > 1.701 )
6 6 0 peak 1821 volume 39.89450 ppm1 8.117 ppm2 1.731
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.267 and attr rmsd > 120.667 ))
( attr rmsd < 0.85 and attr rmsd > 0.79 )
6 6 0 peak 1831 volume 81.72860 ppm1 8.117 ppm2 0.820
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.272 and attr rmsd > 120.672 ))
( attr rmsd < 1.102 and attr rmsd > 1.042 )
6 6 0 peak 1841 volume 252.54021 ppm1 8.117 ppm2 1.072
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.256 and attr rmsd > 120.656 ))
( attr rmsd < 5.068 and attr rmsd > 5.008 )
6 6 0 peak 1861 volume 24.36430 ppm1 7.670 ppm2 5.038
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 5.655 and attr rmsd > 5.595 )
6 6 0 peak 1881 volume 320.83389 ppm1 7.670 ppm2 5.625
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.265 and attr rmsd > 120.665 ))
( attr rmsd < 3.837 and attr rmsd > 3.777 )
6 6 0 peak 1911 volume 75.07480 ppm1 7.670 ppm2 3.807
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.293 and attr rmsd > 120.693 ))
( attr rmsd < 3.603 and attr rmsd > 3.543 )
6 6 0 peak 1921 volume 106.51340 ppm1 7.670 ppm2 3.573
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.248 and attr rmsd > 120.648 ))
( attr rmsd < 1.441 and attr rmsd > 1.381 )
6 6 0 peak 1941 volume 35.11900 ppm1 7.670 ppm2 1.411
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.309 and attr rmsd > 120.709 ))
( attr rmsd < 7.243 and attr rmsd > 7.183 )
6 6 0 peak 1961 volume 23.14730 ppm1 7.670 ppm2 7.213
assi (( attr rmsd < 7.643 and attr rmsd > 7.583 )
and bondedto( attr rmsd < 121.224 and attr rmsd > 120.624 ))
( attr rmsd < 4.243 and attr rmsd > 4.183 )
6 6 0 peak 1971 volume 15.71170 ppm1 7.613 ppm2 4.213
assi (( attr rmsd < 7.433 and attr rmsd > 7.373 )
and bondedto( attr rmsd < 121.142 and attr rmsd > 120.542 ))
( attr rmsd < 0.06 and attr rmsd > 0 )
6 6 0 peak 2201 volume 62.04980 ppm1 7.403 ppm2 0.030
assi (( attr rmsd < 10.677 and attr rmsd > 10.617 )
and bondedto( attr rmsd < 120.961 and attr rmsd > 120.361 ))
( attr rmsd < -0.942 and attr rmsd > -1.002 )
6 6 0 peak 2241 volume 245.04590 ppm1 10.647 ppm2 -0.972
assi (( attr rmsd < 9.441 and attr rmsd > 9.381 )
and bondedto( attr rmsd < 120.558 and attr rmsd > 119.958 ))
( attr rmsd < 7.187 and attr rmsd > 7.127 )
6 6 0 peak 2351 volume 42.22320 ppm1 9.411 ppm2 7.157
assi (( attr rmsd < 9.441 and attr rmsd > 9.381 )
and bondedto( attr rmsd < 120.535 and attr rmsd > 119.935 ))
( attr rmsd < 5.416 and attr rmsd > 5.356 )
6 6 0 peak 2361 volume 96.47200 ppm1 9.411 ppm2 5.386
assi (( attr rmsd < 9.441 and attr rmsd > 9.381 )
and bondedto( attr rmsd < 120.544 and attr rmsd > 119.944 ))
( attr rmsd < 3.507 and attr rmsd > 3.447 )
6 6 0 peak 2381 volume 180.39461 ppm1 9.411 ppm2 3.477
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 120.406 and attr rmsd > 119.806 ))
( attr rmsd < 1.577 and attr rmsd > 1.517 )
6 6 0 peak 2401 volume 107.88830 ppm1 8.623 ppm2 1.547
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.56 and attr rmsd > 118.96 ))
( attr rmsd < 1.581 and attr rmsd > 1.521 )
6 6 0 peak 2511 volume 81.98710 ppm1 8.334 ppm2 1.551
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.56 and attr rmsd > 118.96 ))
( attr rmsd < 0.399 and attr rmsd > 0.339 )
6 6 0 peak 2521 volume 82.17260 ppm1 8.334 ppm2 0.369
assi (( attr rmsd < 9.531 and attr rmsd > 9.471 )
and bondedto( attr rmsd < 119.57 and attr rmsd > 118.97 ))
( attr rmsd < 7.745 and attr rmsd > 7.685 )
6 6 0 peak 2551 volume 113.18700 ppm1 9.501 ppm2 7.715
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.539 and attr rmsd > 118.939 ))
( attr rmsd < 2.008 and attr rmsd > 1.948 )
6 6 0 peak 2621 volume 33.08940 ppm1 8.334 ppm2 1.978
assi (( attr rmsd < 8.422 and attr rmsd > 8.362 )
and bondedto( attr rmsd < 119.189 and attr rmsd > 118.589 ))
( attr rmsd < 7.538 and attr rmsd > 7.478 )
6 6 0 peak 2651 volume 101.25730 ppm1 8.392 ppm2 7.508
assi (( attr rmsd < 8.454 and attr rmsd > 8.394 )
and bondedto( attr rmsd < 119.213 and attr rmsd > 118.613 ))
( attr rmsd < 3.078 and attr rmsd > 3.018 )
6 6 0 peak 2661 volume 30.92100 ppm1 8.424 ppm2 3.048
assi (( attr rmsd < 8.422 and attr rmsd > 8.362 )
and bondedto( attr rmsd < 119.169 and attr rmsd > 118.569 ))
( attr rmsd < -0.966 and attr rmsd > -1.026 )
6 6 0 peak 2681 volume 38.23190 ppm1 8.392 ppm2 -0.996
assi (( attr rmsd < 8.424 and attr rmsd > 8.364 )
and bondedto( attr rmsd < 118.868 and attr rmsd > 118.268 ))
( attr rmsd < 1.874 and attr rmsd > 1.814 )
6 6 0 peak 2691 volume 208.36790 ppm1 8.394 ppm2 1.844
assi (( attr rmsd < 8.424 and attr rmsd > 8.364 )
and bondedto( attr rmsd < 118.868 and attr rmsd > 118.268 ))
( attr rmsd < 1.553 and attr rmsd > 1.493 )
6 6 0 peak 2701 volume 26.98200 ppm1 8.394 ppm2 1.523
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 117.944 and attr rmsd > 117.344 ))
( attr rmsd < 1.444 and attr rmsd > 1.384 )
6 6 0 peak 2771 volume 180.20711 ppm1 7.001 ppm2 1.414
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 117.973 and attr rmsd > 117.373 ))
( attr rmsd < 1.292 and attr rmsd > 1.232 )
6 6 0 peak 2781 volume 76.12580 ppm1 7.001 ppm2 1.262
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 117.919 and attr rmsd > 117.319 ))
( attr rmsd < 9.276 and attr rmsd > 9.216 )
6 6 0 peak 2791 volume 81.71810 ppm1 7.001 ppm2 9.246
assi (( attr rmsd < 9.059 and attr rmsd > 8.999 )
and bondedto( attr rmsd < 117.799 and attr rmsd > 117.199 ))
( attr rmsd < 0.513 and attr rmsd > 0.453 )
6 6 0 peak 2821 volume 35.32130 ppm1 9.029 ppm2 0.483
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 118 and attr rmsd > 117.4 ))
( attr rmsd < 0.411 and attr rmsd > 0.351 )
6 6 0 peak 2861 volume 213.10820 ppm1 7.001 ppm2 0.381
assi (( attr rmsd < 7.856 and attr rmsd > 7.796 )
and bondedto( attr rmsd < 117.664 and attr rmsd > 117.064 ))
( attr rmsd < 0.852 and attr rmsd > 0.792 )
6 6 0 peak 2871 volume 38.82030 ppm1 7.826 ppm2 0.822
assi (( attr rmsd < 7.953 and attr rmsd > 7.893 )
and bondedto( attr rmsd < 117.3 and attr rmsd > 116.7 ))
( attr rmsd < 5.655 and attr rmsd > 5.595 )
6 6 0 peak 2961 volume 110.27090 ppm1 7.923 ppm2 5.625
assi (( attr rmsd < 7.953 and attr rmsd > 7.893 )
and bondedto( attr rmsd < 117.3 and attr rmsd > 116.7 ))
( attr rmsd < 1.761 and attr rmsd > 1.701 )
6 6 0 peak 2991 volume 148.99770 ppm1 7.923 ppm2 1.731
assi (( attr rmsd < 7.953 and attr rmsd > 7.893 )
and bondedto( attr rmsd < 117.3 and attr rmsd > 116.7 ))
( attr rmsd < 8.936 and attr rmsd > 8.876 )
6 6 0 peak 3001 volume 41.80530 ppm1 7.923 ppm2 8.906
assi (( attr rmsd < 7.953 and attr rmsd > 7.893 )
and bondedto( attr rmsd < 117.3 and attr rmsd > 116.7 ))
( attr rmsd < 1.216 and attr rmsd > 1.156 )
6 6 0 peak 3011 volume 94.61870 ppm1 7.923 ppm2 1.186
assi (( attr rmsd < 7.953 and attr rmsd > 7.893 )
and bondedto( attr rmsd < 117.13 and attr rmsd > 116.53 ))
( attr rmsd < 1.059 and attr rmsd > 0.999 )
6 6 0 peak 3021 volume 111.87490 ppm1 7.923 ppm2 1.029
assi (( attr rmsd < 6.797 and attr rmsd > 6.737 )
and bondedto( attr rmsd < 117.342 and attr rmsd > 116.742 ))
( attr rmsd < 1.534 and attr rmsd > 1.474 )
6 6 0 peak 3061 volume 187.12770 ppm1 6.767 ppm2 1.504
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 117.085 and attr rmsd > 116.485 ))
( attr rmsd < 7.483 and attr rmsd > 7.423 )
6 6 0 peak 3131 volume 68.59290 ppm1 7.687 ppm2 7.453
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 117.09 and attr rmsd > 116.49 ))
( attr rmsd < 2.124 and attr rmsd > 2.064 )
6 6 0 peak 3141 volume 306.21710 ppm1 7.687 ppm2 2.094
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 117.072 and attr rmsd > 116.472 ))
( attr rmsd < 1.936 and attr rmsd > 1.876 )
6 6 0 peak 3151 volume 125.06390 ppm1 7.687 ppm2 1.906
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 117.084 and attr rmsd > 116.484 ))
( attr rmsd < 1.484 and attr rmsd > 1.424 )
6 6 0 peak 3171 volume 59.34440 ppm1 7.687 ppm2 1.454
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 117.09 and attr rmsd > 116.49 ))
( attr rmsd < 1.279 and attr rmsd > 1.219 )
6 6 0 peak 3181 volume 55.21900 ppm1 7.687 ppm2 1.249
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 117.08 and attr rmsd > 116.48 ))
( attr rmsd < 0.56 and attr rmsd > 0.5 )
6 6 0 peak 3191 volume 64.86570 ppm1 7.687 ppm2 0.530
assi (( attr rmsd < 8.786 and attr rmsd > 8.726 )
and bondedto( attr rmsd < 116.888 and attr rmsd > 116.288 ))
( attr rmsd < 4.699 and attr rmsd > 4.639 )
6 6 0 peak 3211 volume 49.19080 ppm1 8.756 ppm2 4.669
assi (( attr rmsd < 8.786 and attr rmsd > 8.726 )
and bondedto( attr rmsd < 116.904 and attr rmsd > 116.304 ))
( attr rmsd < 2.782 and attr rmsd > 2.722 )
6 6 0 peak 3221 volume 35.70130 ppm1 8.756 ppm2 2.752
assi (( attr rmsd < 8.786 and attr rmsd > 8.726 )
and bondedto( attr rmsd < 116.91 and attr rmsd > 116.31 ))
( attr rmsd < 3.123 and attr rmsd > 3.063 )
6 6 0 peak 3231 volume 18.93440 ppm1 8.756 ppm2 3.093
assi (( attr rmsd < 9.199 and attr rmsd > 9.139 )
and bondedto( attr rmsd < 116.375 and attr rmsd > 115.775 ))
( attr rmsd < 3.758 and attr rmsd > 3.698 )
6 6 0 peak 3331 volume 40.84850 ppm1 9.169 ppm2 3.728
assi (( attr rmsd < 7.669 and attr rmsd > 7.609 )
and bondedto( attr rmsd < 116.252 and attr rmsd > 115.652 ))
( attr rmsd < 1.643 and attr rmsd > 1.583 )
6 6 0 peak 3421 volume 47.40580 ppm1 7.639 ppm2 1.613
assi (( attr rmsd < 7.669 and attr rmsd > 7.609 )
and bondedto( attr rmsd < 116.241 and attr rmsd > 115.641 ))
( attr rmsd < 1.472 and attr rmsd > 1.412 )
6 6 0 peak 3431 volume 139.52840 ppm1 7.639 ppm2 1.442
assi (( attr rmsd < 7.669 and attr rmsd > 7.609 )
and bondedto( attr rmsd < 116.272 and attr rmsd > 115.672 ))
( attr rmsd < 0.493 and attr rmsd > 0.433 )
6 6 0 peak 3441 volume 41.86980 ppm1 7.639 ppm2 0.463
assi (( attr rmsd < 8.597 and attr rmsd > 8.537 )
and bondedto( attr rmsd < 116.14 and attr rmsd > 115.54 ))
( attr rmsd < 4.709 and attr rmsd > 4.649 )
6 6 0 peak 3461 volume 67.14610 ppm1 8.567 ppm2 4.679
assi (( attr rmsd < 8.253 and attr rmsd > 8.193 )
and bondedto( attr rmsd < 116.035 and attr rmsd > 115.435 ))
( attr rmsd < 2.692 and attr rmsd > 2.632 )
6 6 0 peak 3521 volume 109.68620 ppm1 8.223 ppm2 2.662
assi (( attr rmsd < 8.253 and attr rmsd > 8.193 )
and bondedto( attr rmsd < 116.092 and attr rmsd > 115.492 ))
( attr rmsd < 2.533 and attr rmsd > 2.473 )
6 6 0 peak 3531 volume 67.19850 ppm1 8.223 ppm2 2.503
assi (( attr rmsd < 8.165 and attr rmsd > 8.105 )
and bondedto( attr rmsd < 116.3 and attr rmsd > 115.7 ))
( attr rmsd < 1.966 and attr rmsd > 1.906 )
6 6 0 peak 3581 volume 24.42470 ppm1 8.135 ppm2 1.936
assi (( attr rmsd < 8.165 and attr rmsd > 8.105 )
and bondedto( attr rmsd < 116.3 and attr rmsd > 115.7 ))
( attr rmsd < 1.533 and attr rmsd > 1.473 )
6 6 0 peak 3601 volume 27.64520 ppm1 8.135 ppm2 1.503
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.206 and attr rmsd > 114.606 ))
( attr rmsd < 4.689 and attr rmsd > 4.629 )
6 6 0 peak 3691 volume 206.22540 ppm1 7.687 ppm2 4.659
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.235 and attr rmsd > 114.635 ))
( attr rmsd < 1.761 and attr rmsd > 1.701 )
6 6 0 peak 3711 volume 474.55481 ppm1 7.687 ppm2 1.731
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.215 and attr rmsd > 114.615 ))
( attr rmsd < 1.214 and attr rmsd > 1.154 )
6 6 0 peak 3721 volume 88.52400 ppm1 7.687 ppm2 1.184
assi (( attr rmsd < 6.561 and attr rmsd > 6.501 )
and bondedto( attr rmsd < 114.563 and attr rmsd > 113.963 ))
( attr rmsd < -0.214 and attr rmsd > -0.274 )
6 6 0 peak 3811 volume 38.79340 ppm1 6.531 ppm2 -0.244
assi (( attr rmsd < 6.561 and attr rmsd > 6.501 )
and bondedto( attr rmsd < 114.585 and attr rmsd > 113.985 ))
( attr rmsd < 0.412 and attr rmsd > 0.352 )
6 6 0 peak 3851 volume 43.30400 ppm1 6.531 ppm2 0.382
assi (( attr rmsd < 8.27 and attr rmsd > 8.21 )
and bondedto( attr rmsd < 114.054 and attr rmsd > 113.454 ))
( attr rmsd < 0.034 and attr rmsd > -0.026 )
6 6 0 peak 3971 volume 33.94320 ppm1 8.240 ppm2 0.004
assi (( attr rmsd < 8.27 and attr rmsd > 8.21 )
and bondedto( attr rmsd < 114.042 and attr rmsd > 113.442 ))
( attr rmsd < 4.963 and attr rmsd > 4.903 )
6 6 0 peak 4031 volume 26.30220 ppm1 8.240 ppm2 4.933
assi (( attr rmsd < 7.725 and attr rmsd > 7.665 )
and bondedto( attr rmsd < 113.165 and attr rmsd > 112.565 ))
( attr rmsd < 1.851 and attr rmsd > 1.791 )
6 6 0 peak 4231 volume 37.06040 ppm1 7.695 ppm2 1.821
assi (( attr rmsd < 8.418 and attr rmsd > 8.358 )
and bondedto( attr rmsd < 112.923 and attr rmsd > 112.323 ))
( attr rmsd < 1.497 and attr rmsd > 1.437 )
6 6 0 peak 4251 volume 48.62030 ppm1 8.388 ppm2 1.467
assi (( attr rmsd < 9.181 and attr rmsd > 9.121 )
and bondedto( attr rmsd < 112.436 and attr rmsd > 111.836 ))
( attr rmsd < 2.24 and attr rmsd > 2.18 )
6 6 0 peak 4311 volume 31.44990 ppm1 9.151 ppm2 2.210
assi (( attr rmsd < 9.181 and attr rmsd > 9.121 )
and bondedto( attr rmsd < 112.417 and attr rmsd > 111.817 ))
( attr rmsd < 0.677 and attr rmsd > 0.617 )
6 6 0 peak 4331 volume 33.40230 ppm1 9.151 ppm2 0.647
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 112.3 and attr rmsd > 111.7 ))
( attr rmsd < 1.013 and attr rmsd > 0.953 )
6 6 0 peak 4381 volume 183.08630 ppm1 8.117 ppm2 0.983
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 112.3 and attr rmsd > 111.7 ))
( attr rmsd < 0.6 and attr rmsd > 0.54 )
6 6 0 peak 4391 volume 278.49161 ppm1 8.117 ppm2 0.570
assi (( attr rmsd < 6.496 and attr rmsd > 6.436 )
and bondedto( attr rmsd < 111.155 and attr rmsd > 110.555 ))
( attr rmsd < 1.693 and attr rmsd > 1.633 )
6 6 0 peak 4401 volume 122.39810 ppm1 6.466 ppm2 1.663
assi (( attr rmsd < 6.496 and attr rmsd > 6.436 )
and bondedto( attr rmsd < 111.175 and attr rmsd > 110.575 ))
( attr rmsd < 4.69 and attr rmsd > 4.63 )
6 6 0 peak 4421 volume 41.98080 ppm1 6.466 ppm2 4.660
assi (( attr rmsd < 6.496 and attr rmsd > 6.436 )
and bondedto( attr rmsd < 111.23 and attr rmsd > 110.63 ))
( attr rmsd < 8.436 and attr rmsd > 8.376 )
6 6 0 peak 4461 volume 77.06890 ppm1 6.466 ppm2 8.406
assi (( attr rmsd < 8.004 and attr rmsd > 7.944 )
and bondedto( attr rmsd < 110.7 and attr rmsd > 110.1 ))
( attr rmsd < 3.894 and attr rmsd > 3.834 )
6 6 0 peak 4491 volume 88.69420 ppm1 7.974 ppm2 3.864
assi (( attr rmsd < 8.961 and attr rmsd > 8.901 )
and bondedto( attr rmsd < 109.615 and attr rmsd > 109.015 ))
( attr rmsd < 1.784 and attr rmsd > 1.724 )
6 6 0 peak 4501 volume 78.44900 ppm1 8.931 ppm2 1.754
assi (( attr rmsd < 8.947 and attr rmsd > 8.887 )
and bondedto( attr rmsd < 109.363 and attr rmsd > 108.763 ))
( attr rmsd < 2.288 and attr rmsd > 2.228 )
6 6 0 peak 4551 volume 217.97549 ppm1 8.917 ppm2 2.258
assi (( attr rmsd < 8.947 and attr rmsd > 8.887 )
and bondedto( attr rmsd < 109.363 and attr rmsd > 108.763 ))
( attr rmsd < 2.057 and attr rmsd > 1.997 )
6 6 0 peak 4581 volume 66.54480 ppm1 8.917 ppm2 2.027
assi (( attr rmsd < 8.947 and attr rmsd > 8.887 )
and bondedto( attr rmsd < 109.342 and attr rmsd > 108.742 ))
( attr rmsd < 1.079 and attr rmsd > 1.019 )
6 6 0 peak 4601 volume 151.59599 ppm1 8.917 ppm2 1.049
assi (( attr rmsd < 7.537 and attr rmsd > 7.477 )
and bondedto( attr rmsd < 109.3 and attr rmsd > 108.7 ))
( attr rmsd < 3.331 and attr rmsd > 3.271 )
6 6 0 peak 4651 volume 22.57150 ppm1 7.507 ppm2 3.301
assi (( attr rmsd < 9.441 and attr rmsd > 9.381 )
and bondedto( attr rmsd < 120.604 and attr rmsd > 120.004 ))
( attr rmsd < 0.469 and attr rmsd > 0.409 )
6 6 0 peak 4711 volume 40.08440 ppm1 9.411 ppm2 0.439
assi (( attr rmsd < 9.103 and attr rmsd > 9.043 )
and bondedto( attr rmsd < 128.936 and attr rmsd > 128.336 ))
( attr rmsd < 7.268 and attr rmsd > 7.208 )
6 6 0 peak 4771 volume 47.30470 ppm1 9.073 ppm2 7.238
assi (( attr rmsd < 7.669 and attr rmsd > 7.609 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 5.191 and attr rmsd > 5.131 )
6 6 0 peak 4841 volume 112.86690 ppm1 7.639 ppm2 5.161
assi (( attr rmsd < 8.575 and attr rmsd > 8.515 )
and bondedto( attr rmsd < 128.068 and attr rmsd > 127.468 ))
( attr rmsd < 0.316 and attr rmsd > 0.256 )
6 6 0 peak 4871 volume 24.36270 ppm1 8.545 ppm2 0.286
assi (( attr rmsd < 10.677 and attr rmsd > 10.617 )
and bondedto( attr rmsd < 120.951 and attr rmsd > 120.351 ))
( attr rmsd < 7.936 and attr rmsd > 7.876 )
6 6 0 peak 4891 volume 12.09730 ppm1 10.647 ppm2 7.906
assi (( attr rmsd < 8.422 and attr rmsd > 8.362 )
and bondedto( attr rmsd < 119.215 and attr rmsd > 118.615 ))
( attr rmsd < 3.143 and attr rmsd > 3.083 )
6 6 0 peak 4931 volume 64.33010 ppm1 8.392 ppm2 3.113
assi (( attr rmsd < 7.4 and attr rmsd > 7.34 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 0.079 and attr rmsd > 0.019 )
6 6 0 peak 4951 volume 71.08080 ppm1 7.370 ppm2 0.049
assi (( attr rmsd < 8.745 and attr rmsd > 8.685 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 8.931 and attr rmsd > 8.871 )
6 6 0 peak 4961 volume 95.93790 ppm1 8.715 ppm2 8.901
assi (( attr rmsd < 8.745 and attr rmsd > 8.685 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 5.485 and attr rmsd > 5.425 )
6 6 0 peak 4971 volume 45.26830 ppm1 8.715 ppm2 5.455
assi (( attr rmsd < 8.773 and attr rmsd > 8.713 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 0.9 and attr rmsd > 0.84 )
6 6 0 peak 4981 volume 45.83110 ppm1 8.743 ppm2 0.870
assi (( attr rmsd < 8.773 and attr rmsd > 8.713 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 2.259 and attr rmsd > 2.199 )
6 6 0 peak 4991 volume 30.81170 ppm1 8.743 ppm2 2.229
assi (( attr rmsd < 8.012 and attr rmsd > 7.952 )
and bondedto( attr rmsd < 127.2 and attr rmsd > 126.6 ))
( attr rmsd < 1.841 and attr rmsd > 1.781 )
6 6 0 peak 5001 volume 38.58090 ppm1 7.982 ppm2 1.811
assi (( attr rmsd < 7.953 and attr rmsd > 7.893 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 4.537 and attr rmsd > 4.477 )
6 6 0 peak 5011 volume 67.71280 ppm1 7.923 ppm2 4.507
assi (( attr rmsd < 9.254 and attr rmsd > 9.194 )
and bondedto( attr rmsd < 116.3 and attr rmsd > 115.7 ))
( attr rmsd < 0.875 and attr rmsd > 0.815 )
6 6 0 peak 5041 volume 185.04520 ppm1 9.224 ppm2 0.845
assi (( attr rmsd < 9.13 and attr rmsd > 9.07 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 5.257 and attr rmsd > 5.197 )
6 6 0 peak 5061 volume 30.65900 ppm1 9.100 ppm2 5.227
assi (( attr rmsd < 9.13 and attr rmsd > 9.07 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 0.376 and attr rmsd > 0.316 )
6 6 0 peak 5071 volume 12.09130 ppm1 9.100 ppm2 0.346
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 1.609 and attr rmsd > 1.549 )
6 6 0 peak 5121 volume 428.38669 ppm1 7.687 ppm2 1.579
assi (( attr rmsd < 8.351 and attr rmsd > 8.291 )
and bondedto( attr rmsd < 121.819 and attr rmsd > 121.219 ))
( attr rmsd < 2.101 and attr rmsd > 2.041 )
6 6 0 peak 5131 volume 49.26160 ppm1 8.321 ppm2 2.071
assi (( attr rmsd < 9.181 and attr rmsd > 9.121 )
and bondedto( attr rmsd < 112.445 and attr rmsd > 111.845 ))
( attr rmsd < 1.445 and attr rmsd > 1.385 )
6 6 0 peak 5161 volume 47.51070 ppm1 9.151 ppm2 1.415
assi (( attr rmsd < 8.66 and attr rmsd > 8.6 )
and bondedto( attr rmsd < 113.313 and attr rmsd > 112.713 ))
( attr rmsd < 1.69 and attr rmsd > 1.63 )
6 6 0 peak 5231 volume 35.01180 ppm1 8.630 ppm2 1.660
assi (( attr rmsd < 8.66 and attr rmsd > 8.6 )
and bondedto( attr rmsd < 113.313 and attr rmsd > 112.713 ))
( attr rmsd < 3.554 and attr rmsd > 3.494 )
6 6 0 peak 5241 volume 44.76490 ppm1 8.630 ppm2 3.524
assi (( attr rmsd < 8.961 and attr rmsd > 8.901 )
and bondedto( attr rmsd < 109.668 and attr rmsd > 109.068 ))
( attr rmsd < 2.229 and attr rmsd > 2.169 )
6 6 0 peak 5311 volume 99.45950 ppm1 8.931 ppm2 2.199
assi (( attr rmsd < 8.961 and attr rmsd > 8.901 )
and bondedto( attr rmsd < 109.668 and attr rmsd > 109.068 ))
( attr rmsd < 2.525 and attr rmsd > 2.465 )
6 6 0 peak 5321 volume 57.88540 ppm1 8.931 ppm2 2.495
assi (( attr rmsd < 7.725 and attr rmsd > 7.665 )
and bondedto( attr rmsd < 113.14 and attr rmsd > 112.54 ))
( attr rmsd < 2.532 and attr rmsd > 2.472 )
6 6 0 peak 5371 volume 46.85420 ppm1 7.695 ppm2 2.502
assi (( attr rmsd < 7.725 and attr rmsd > 7.665 )
and bondedto( attr rmsd < 113.14 and attr rmsd > 112.54 ))
( attr rmsd < 9.559 and attr rmsd > 9.499 )
6 6 0 peak 5381 volume 28.31060 ppm1 7.695 ppm2 9.529
assi (( attr rmsd < 9.449 and attr rmsd > 9.389 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 2.984 and attr rmsd > 2.924 )
6 6 0 peak 5531 volume 64.58630 ppm1 9.419 ppm2 2.954
assi (( attr rmsd < 8.61 and attr rmsd > 8.55 )
and bondedto( attr rmsd < 122.834 and attr rmsd > 122.234 ))
( attr rmsd < 7.282 and attr rmsd > 7.222 )
6 6 0 peak 5551 volume 107.89980 ppm1 8.580 ppm2 7.252
assi (( attr rmsd < 8.253 and attr rmsd > 8.193 )
and bondedto( attr rmsd < 116.091 and attr rmsd > 115.491 ))
( attr rmsd < 7.053 and attr rmsd > 6.993 )
6 6 0 peak 5571 volume 30.34880 ppm1 8.223 ppm2 7.023
assi (( attr rmsd < 8.788 and attr rmsd > 8.728 )
and bondedto( attr rmsd < 122.166 and attr rmsd > 121.566 ))
( attr rmsd < 7.709 and attr rmsd > 7.649 )
6 6 0 peak 5601 volume 60.26510 ppm1 8.758 ppm2 7.679
assi (( attr rmsd < 8.865 and attr rmsd > 8.805 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 2.126 and attr rmsd > 2.066 )
6 6 0 peak 5691 volume 149.38440 ppm1 8.835 ppm2 2.096
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 112.3 and attr rmsd > 111.7 ))
( attr rmsd < 1.773 and attr rmsd > 1.713 )
6 6 0 peak 5751 volume 327.31631 ppm1 8.117 ppm2 1.743
assi (( attr rmsd < 9.246 and attr rmsd > 9.186 )
and bondedto( attr rmsd < 125.464 and attr rmsd > 124.864 ))
( attr rmsd < 3.85 and attr rmsd > 3.79 )
6 6 0 peak 5811 volume 49.42120 ppm1 9.216 ppm2 3.820
assi (( attr rmsd < 9.246 and attr rmsd > 9.186 )
and bondedto( attr rmsd < 125.464 and attr rmsd > 124.864 ))
( attr rmsd < 1.58 and attr rmsd > 1.52 )
6 6 0 peak 5821 volume 59.84010 ppm1 9.216 ppm2 1.550
assi (( attr rmsd < 7.856 and attr rmsd > 7.796 )
and bondedto( attr rmsd < 117.653 and attr rmsd > 117.053 ))
( attr rmsd < 3.85 and attr rmsd > 3.79 )
6 6 0 peak 5831 volume 21.05750 ppm1 7.826 ppm2 3.820
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 117.132 and attr rmsd > 116.532 ))
( attr rmsd < 5.643 and attr rmsd > 5.583 )
6 6 0 peak 5921 volume 41.34500 ppm1 7.687 ppm2 5.613
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 2.146 and attr rmsd > 2.086 )
6 6 0 peak 5931 volume 82.30640 ppm1 8.117 ppm2 2.116
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 7.231 and attr rmsd > 7.171 )
6 6 0 peak 5981 volume 20.79810 ppm1 8.353 ppm2 7.201
assi (( attr rmsd < 7.537 and attr rmsd > 7.477 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 8.546 and attr rmsd > 8.486 )
6 6 0 peak 5991 volume 28.56030 ppm1 7.507 ppm2 8.516
assi (( attr rmsd < 9.103 and attr rmsd > 9.043 )
and bondedto( attr rmsd < 128.936 and attr rmsd > 128.336 ))
( attr rmsd < 1.626 and attr rmsd > 1.566 )
6 6 0 peak 6001 volume 33.97820 ppm1 9.073 ppm2 1.596
assi (( attr rmsd < 8.956 and attr rmsd > 8.896 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 2.425 and attr rmsd > 2.365 )
6 6 0 peak 6021 volume 92.06070 ppm1 8.926 ppm2 2.395
assi (( attr rmsd < 8.424 and attr rmsd > 8.364 )
and bondedto( attr rmsd < 118.868 and attr rmsd > 118.268 ))
( attr rmsd < 2.083 and attr rmsd > 2.023 )
6 6 0 peak 6051 volume 217.03461 ppm1 8.394 ppm2 2.053
assi (( attr rmsd < 7.856 and attr rmsd > 7.796 )
and bondedto( attr rmsd < 117.653 and attr rmsd > 117.053 ))
( attr rmsd < 4.735 and attr rmsd > 4.675 )
6 6 0 peak 6061 volume 260.93860 ppm1 7.826 ppm2 4.705
assi (( attr rmsd < 9.254 and attr rmsd > 9.194 )
and bondedto( attr rmsd < 116.3 and attr rmsd > 115.7 ))
( attr rmsd < 1.461 and attr rmsd > 1.401 )
6 6 0 peak 6081 volume 75.12810 ppm1 9.224 ppm2 1.431
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 3.146 and attr rmsd > 3.086 )
6 6 0 peak 6091 volume 40.54360 ppm1 8.334 ppm2 3.116
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 2.167 and attr rmsd > 2.107 )
6 6 0 peak 6101 volume 75.55550 ppm1 8.334 ppm2 2.137
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 1.804 and attr rmsd > 1.744 )
6 6 0 peak 6121 volume 30.26250 ppm1 8.334 ppm2 1.774
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 8.64 and attr rmsd > 8.58 )
6 6 0 peak 6131 volume 21.65300 ppm1 8.334 ppm2 8.610
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 5.321 and attr rmsd > 5.261 )
6 6 0 peak 6141 volume 67.58020 ppm1 7.687 ppm2 5.291
assi (( attr rmsd < 9.181 and attr rmsd > 9.121 )
and bondedto( attr rmsd < 112.445 and attr rmsd > 111.845 ))
( attr rmsd < 0.405 and attr rmsd > 0.345 )
6 6 0 peak 6151 volume 71.92870 ppm1 9.151 ppm2 0.375
assi (( attr rmsd < 8.947 and attr rmsd > 8.887 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 2.511 and attr rmsd > 2.451 )
6 6 0 peak 6161 volume 74.68650 ppm1 8.917 ppm2 2.481
assi (( attr rmsd < 8.703 and attr rmsd > 8.643 )
and bondedto( attr rmsd < 124.423 and attr rmsd > 123.823 ))
( attr rmsd < 1.42 and attr rmsd > 1.36 )
6 6 0 peak 6181 volume 211.96300 ppm1 8.673 ppm2 1.390
assi (( attr rmsd < 8.961 and attr rmsd > 8.901 )
and bondedto( attr rmsd < 109.668 and attr rmsd > 109.068 ))
( attr rmsd < -0.373 and attr rmsd > -0.433 )
6 6 0 peak 6211 volume 29.30840 ppm1 8.931 ppm2 -0.403
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 6.931 and attr rmsd > 6.871 )
6 6 0 peak 6231 volume 31.27570 ppm1 8.353 ppm2 6.901
assi (( attr rmsd < 8.534 and attr rmsd > 8.474 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 0.907 and attr rmsd > 0.847 )
6 6 0 peak 6351 volume 28.53530 ppm1 8.504 ppm2 0.877
assi (( attr rmsd < 7.537 and attr rmsd > 7.477 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 4.675 and attr rmsd > 4.615 )
6 6 0 peak 6361 volume 255.82990 ppm1 7.507 ppm2 4.645
assi (( attr rmsd < 6.561 and attr rmsd > 6.501 )
and bondedto( attr rmsd < 114.528 and attr rmsd > 113.928 ))
( attr rmsd < 2.26 and attr rmsd > 2.2 )
6 6 0 peak 6401 volume 27.37580 ppm1 6.531 ppm2 2.230
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 2.469 and attr rmsd > 2.409 )
6 6 0 peak 6411 volume 25.63830 ppm1 7.687 ppm2 2.439
assi (( attr rmsd < 8.253 and attr rmsd > 8.193 )
and bondedto( attr rmsd < 116.091 and attr rmsd > 115.491 ))
( attr rmsd < 9.957 and attr rmsd > 9.897 )
6 6 0 peak 6421 volume 23.76140 ppm1 8.223 ppm2 9.927
assi (( attr rmsd < 9.254 and attr rmsd > 9.194 )
and bondedto( attr rmsd < 116.3 and attr rmsd > 115.7 ))
( attr rmsd < 0.057 and attr rmsd > -0.003 )
6 6 0 peak 6441 volume 37.23610 ppm1 9.224 ppm2 0.027
assi (( attr rmsd < 6.797 and attr rmsd > 6.737 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 5.802 and attr rmsd > 5.742 )
6 6 0 peak 6461 volume 24.31260 ppm1 6.767 ppm2 5.772
assi (( attr rmsd < 6.797 and attr rmsd > 6.737 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 8.593 and attr rmsd > 8.533 )
6 6 0 peak 6471 volume 27.79150 ppm1 6.767 ppm2 8.563
assi (( attr rmsd < 7.856 and attr rmsd > 7.796 )
and bondedto( attr rmsd < 117.653 and attr rmsd > 117.053 ))
( attr rmsd < 3.054 and attr rmsd > 2.994 )
6 6 0 peak 6481 volume 45.23530 ppm1 7.826 ppm2 3.024
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 3.829 and attr rmsd > 3.769 )
6 6 0 peak 6491 volume 29.45950 ppm1 8.334 ppm2 3.799
assi (( attr rmsd < 9.027 and attr rmsd > 8.967 )
and bondedto( attr rmsd < 119.736 and attr rmsd > 119.136 ))
( attr rmsd < 4.008 and attr rmsd > 3.948 )
6 6 0 peak 6511 volume 16.34420 ppm1 8.997 ppm2 3.978
assi (( attr rmsd < 8.546 and attr rmsd > 8.486 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < -0.37 and attr rmsd > -0.43 )
6 6 0 peak 6531 volume 19.92430 ppm1 8.516 ppm2 -0.400
assi (( attr rmsd < 9.441 and attr rmsd > 9.381 )
and bondedto( attr rmsd < 120.604 and attr rmsd > 120.004 ))
( attr rmsd < 3.849 and attr rmsd > 3.789 )
6 6 0 peak 6551 volume 29.87810 ppm1 9.411 ppm2 3.819
assi (( attr rmsd < 9.13 and attr rmsd > 9.07 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 1.375 and attr rmsd > 1.315 )
6 6 0 peak 6561 volume 18.61030 ppm1 9.100 ppm2 1.345
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 0.692 and attr rmsd > 0.632 )
6 6 0 peak 6571 volume 13.02430 ppm1 7.670 ppm2 0.662
assi (( attr rmsd < 9.477 and attr rmsd > 9.417 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 2.102 and attr rmsd > 2.042 )
6 6 0 peak 6581 volume 15.36180 ppm1 9.447 ppm2 2.072
assi (( attr rmsd < 9.477 and attr rmsd > 9.417 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 0.676 and attr rmsd > 0.616 )
6 6 0 peak 6591 volume 28.58840 ppm1 9.447 ppm2 0.646
assi (( attr rmsd < 8.351 and attr rmsd > 8.291 )
and bondedto( attr rmsd < 121.819 and attr rmsd > 121.219 ))
( attr rmsd < 0.935 and attr rmsd > 0.875 )
6 6 0 peak 6601 volume 101.27150 ppm1 8.321 ppm2 0.905
assi (( attr rmsd < 8.834 and attr rmsd > 8.774 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < 9.31 and attr rmsd > 9.25 )
6 6 0 peak 6641 volume 26.74590 ppm1 8.804 ppm2 9.280
assi (( attr rmsd < 8.333 and attr rmsd > 8.273 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < 5.732 and attr rmsd > 5.672 )
6 6 0 peak 6651 volume 27.72040 ppm1 8.303 ppm2 5.702
assi (( attr rmsd < 8.64 and attr rmsd > 8.58 )
and bondedto( attr rmsd < 124.076 and attr rmsd > 123.476 ))
( attr rmsd < 0.423 and attr rmsd > 0.363 )
6 6 0 peak 6661 volume 77.44730 ppm1 8.610 ppm2 0.393
assi (( attr rmsd < 8.575 and attr rmsd > 8.515 )
and bondedto( attr rmsd < 128.068 and attr rmsd > 127.468 ))
( attr rmsd < 4.691 and attr rmsd > 4.631 )
6 6 0 peak 6681 volume 17.30350 ppm1 8.545 ppm2 4.661
assi (( attr rmsd < 9.103 and attr rmsd > 9.043 )
and bondedto( attr rmsd < 128.936 and attr rmsd > 128.336 ))
( attr rmsd < -0.999 and attr rmsd > -1.059 )
6 6 0 peak 6711 volume 19.36760 ppm1 9.073 ppm2 -1.029
assi (( attr rmsd < 7.953 and attr rmsd > 7.893 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 5.146 and attr rmsd > 5.086 )
6 6 0 peak 6731 volume 26.25700 ppm1 7.923 ppm2 5.116
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < -0.172 and attr rmsd > -0.232 )
6 6 0 peak 6741 volume 14.37030 ppm1 8.117 ppm2 -0.202
assi (( attr rmsd < 8.546 and attr rmsd > 8.486 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 1.536 and attr rmsd > 1.476 )
6 6 0 peak 6751 volume 54.86630 ppm1 8.516 ppm2 1.506
assi (( attr rmsd < 9.441 and attr rmsd > 9.381 )
and bondedto( attr rmsd < 120.604 and attr rmsd > 120.004 ))
( attr rmsd < 1.669 and attr rmsd > 1.609 )
6 6 0 peak 6761 volume 132.97771 ppm1 9.411 ppm2 1.639
assi (( attr rmsd < 9.199 and attr rmsd > 9.139 )
and bondedto( attr rmsd < 116.438 and attr rmsd > 115.838 ))
( attr rmsd < 8.685 and attr rmsd > 8.625 )
6 6 0 peak 6771 volume 53.10950 ppm1 9.169 ppm2 8.655
assi (( attr rmsd < 9.094 and attr rmsd > 9.034 )
and bondedto( attr rmsd < 116.785 and attr rmsd > 116.185 ))
( attr rmsd < 7.228 and attr rmsd > 7.168 )
6 6 0 peak 6801 volume 15.87060 ppm1 9.064 ppm2 7.198
assi (( attr rmsd < 9.094 and attr rmsd > 9.034 )
and bondedto( attr rmsd < 116.785 and attr rmsd > 116.185 ))
( attr rmsd < 9.657 and attr rmsd > 9.597 )
6 6 0 peak 6811 volume 14.62350 ppm1 9.064 ppm2 9.627
assi (( attr rmsd < 9.094 and attr rmsd > 9.034 )
and bondedto( attr rmsd < 116.785 and attr rmsd > 116.185 ))
( attr rmsd < 8.634 and attr rmsd > 8.574 )
6 6 0 peak 6821 volume 10.27060 ppm1 9.064 ppm2 8.604
assi (( attr rmsd < 8.52 and attr rmsd > 8.46 )
and bondedto( attr rmsd < 115.917 and attr rmsd > 115.317 ))
( attr rmsd < 3.305 and attr rmsd > 3.245 )
6 6 0 peak 6851 volume 42.19110 ppm1 8.490 ppm2 3.275
assi (( attr rmsd < 8.52 and attr rmsd > 8.46 )
and bondedto( attr rmsd < 115.917 and attr rmsd > 115.317 ))
( attr rmsd < 0.95 and attr rmsd > 0.89 )
6 6 0 peak 6861 volume 86.83680 ppm1 8.490 ppm2 0.920
assi (( attr rmsd < 8.52 and attr rmsd > 8.46 )
and bondedto( attr rmsd < 115.917 and attr rmsd > 115.317 ))
( attr rmsd < 1.376 and attr rmsd > 1.316 )
6 6 0 peak 6871 volume 19.34360 ppm1 8.490 ppm2 1.346
assi (( attr rmsd < 8.52 and attr rmsd > 8.46 )
and bondedto( attr rmsd < 115.917 and attr rmsd > 115.317 ))
( attr rmsd < 1.626 and attr rmsd > 1.566 )
6 6 0 peak 6881 volume 75.05730 ppm1 8.490 ppm2 1.596
assi (( attr rmsd < 9.027 and attr rmsd > 8.967 )
and bondedto( attr rmsd < 119.736 and attr rmsd > 119.136 ))
( attr rmsd < 3.297 and attr rmsd > 3.237 )
6 6 0 peak 6901 volume 11.27690 ppm1 8.997 ppm2 3.267
assi (( attr rmsd < 9.027 and attr rmsd > 8.967 )
and bondedto( attr rmsd < 119.736 and attr rmsd > 119.136 ))
( attr rmsd < 0.134 and attr rmsd > 0.074 )
6 6 0 peak 6911 volume 6.06220 ppm1 8.997 ppm2 0.104
assi (( attr rmsd < 7.537 and attr rmsd > 7.477 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 1.943 and attr rmsd > 1.883 )
6 6 0 peak 6921 volume 89.03370 ppm1 7.507 ppm2 1.913
assi (( attr rmsd < 7.537 and attr rmsd > 7.477 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 1.654 and attr rmsd > 1.594 )
6 6 0 peak 6931 volume 67.26660 ppm1 7.507 ppm2 1.624
assi (( attr rmsd < 7.537 and attr rmsd > 7.477 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 0.919 and attr rmsd > 0.859 )
6 6 0 peak 6941 volume 93.91660 ppm1 7.507 ppm2 0.889
assi (( attr rmsd < 8.391 and attr rmsd > 8.331 )
and bondedto( attr rmsd < 112.966 and attr rmsd > 112.366 ))
( attr rmsd < 9.403 and attr rmsd > 9.343 )
6 6 0 peak 6951 volume 13.59390 ppm1 8.361 ppm2 9.373
assi (( attr rmsd < 8.391 and attr rmsd > 8.331 )
and bondedto( attr rmsd < 112.966 and attr rmsd > 112.366 ))
( attr rmsd < 6.51 and attr rmsd > 6.45 )
6 6 0 peak 6961 volume 14.13590 ppm1 8.361 ppm2 6.480
assi (( attr rmsd < 8.391 and attr rmsd > 8.331 )
and bondedto( attr rmsd < 112.966 and attr rmsd > 112.366 ))
( attr rmsd < 1.692 and attr rmsd > 1.632 )
6 6 0 peak 6971 volume 16.37210 ppm1 8.361 ppm2 1.662
assi (( attr rmsd < 8.573 and attr rmsd > 8.513 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 1.354 and attr rmsd > 1.294 )
6 6 0 peak 6991 volume 111.07430 ppm1 8.543 ppm2 1.324
assi (( attr rmsd < 8.573 and attr rmsd > 8.513 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 1.523 and attr rmsd > 1.463 )
6 6 0 peak 7001 volume 129.85320 ppm1 8.543 ppm2 1.493
assi (( attr rmsd < 8.573 and attr rmsd > 8.513 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 0.737 and attr rmsd > 0.677 )
6 6 0 peak 7011 volume 115.00980 ppm1 8.543 ppm2 0.707
assi (( attr rmsd < 9.103 and attr rmsd > 9.043 )
and bondedto( attr rmsd < 128.936 and attr rmsd > 128.336 ))
( attr rmsd < 2.252 and attr rmsd > 2.192 )
6 6 0 peak 7021 volume 10.74210 ppm1 9.073 ppm2 2.222
assi (( attr rmsd < 9.103 and attr rmsd > 9.043 )
and bondedto( attr rmsd < 128.936 and attr rmsd > 128.336 ))
( attr rmsd < 1.223 and attr rmsd > 1.163 )
6 6 0 peak 7031 volume 12.71270 ppm1 9.073 ppm2 1.193
assi (( attr rmsd < 9.103 and attr rmsd > 9.043 )
and bondedto( attr rmsd < 128.936 and attr rmsd > 128.336 ))
( attr rmsd < 6.97 and attr rmsd > 6.91 )
6 6 0 peak 7041 volume 62.69380 ppm1 9.073 ppm2 6.940
assi (( attr rmsd < 9.449 and attr rmsd > 9.389 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 0.673 and attr rmsd > 0.613 )
6 6 0 peak 7061 volume 66.48310 ppm1 9.419 ppm2 0.643
assi (( attr rmsd < 9.449 and attr rmsd > 9.389 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 0.443 and attr rmsd > 0.383 )
6 6 0 peak 7071 volume 86.72870 ppm1 9.419 ppm2 0.413
assi (( attr rmsd < 9.449 and attr rmsd > 9.389 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 0.978 and attr rmsd > 0.918 )
6 6 0 peak 7081 volume 87.58830 ppm1 9.419 ppm2 0.948
assi (( attr rmsd < 9.449 and attr rmsd > 9.389 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 2.095 and attr rmsd > 2.035 )
6 6 0 peak 7091 volume 7.22330 ppm1 9.419 ppm2 2.065
assi (( attr rmsd < 8.835 and attr rmsd > 8.775 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < 9.49 and attr rmsd > 9.43 )
6 6 0 peak 7101 volume 32.25040 ppm1 8.805 ppm2 9.460
assi (( attr rmsd < 9.678 and attr rmsd > 9.618 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < 1.484 and attr rmsd > 1.424 )
6 6 0 peak 7161 volume 36.27860 ppm1 9.648 ppm2 1.454
assi (( attr rmsd < 9.678 and attr rmsd > 9.618 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < 0.39 and attr rmsd > 0.33 )
6 6 0 peak 7181 volume 19.87690 ppm1 9.648 ppm2 0.360
assi (( attr rmsd < 9.678 and attr rmsd > 9.618 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < 0.889 and attr rmsd > 0.829 )
6 6 0 peak 7191 volume 22.45190 ppm1 9.648 ppm2 0.859
assi (( attr rmsd < 9.678 and attr rmsd > 9.618 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < -0.284 and attr rmsd > -0.344 )
6 6 0 peak 7201 volume 26.49560 ppm1 9.648 ppm2 -0.314
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 117.132 and attr rmsd > 116.532 ))
( attr rmsd < 5.11 and attr rmsd > 5.05 )
6 6 0 peak 7221 volume 24.47250 ppm1 7.687 ppm2 5.080
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 117.132 and attr rmsd > 116.532 ))
( attr rmsd < 1.011 and attr rmsd > 0.951 )
6 6 0 peak 7251 volume 56.70160 ppm1 7.687 ppm2 0.981
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 112.272 and attr rmsd > 111.672 ))
( attr rmsd < 2.866 and attr rmsd > 2.806 )
6 6 0 peak 7261 volume 15.04500 ppm1 8.117 ppm2 2.836
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 112.272 and attr rmsd > 111.672 ))
( attr rmsd < 1.458 and attr rmsd > 1.398 )
6 6 0 peak 7271 volume 69.78690 ppm1 8.117 ppm2 1.428
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 112.272 and attr rmsd > 111.672 ))
( attr rmsd < 1.264 and attr rmsd > 1.204 )
6 6 0 peak 7281 volume 22.79020 ppm1 8.117 ppm2 1.234
assi (( attr rmsd < 9.477 and attr rmsd > 9.417 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 4.438 and attr rmsd > 4.378 )
6 6 0 peak 7291 volume 38.99830 ppm1 9.447 ppm2 4.408
assi (( attr rmsd < 9.477 and attr rmsd > 9.417 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 1.478 and attr rmsd > 1.418 )
6 6 0 peak 7311 volume 17.66630 ppm1 9.447 ppm2 1.448
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 1.099 and attr rmsd > 1.039 )
6 6 0 peak 7331 volume 167.31250 ppm1 7.670 ppm2 1.069
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 118 and attr rmsd > 117.4 ))
( attr rmsd < 4.101 and attr rmsd > 4.041 )
6 6 0 peak 7341 volume 23.28860 ppm1 7.001 ppm2 4.071
assi (( attr rmsd < 7.832 and attr rmsd > 7.772 )
and bondedto( attr rmsd < 127.547 and attr rmsd > 126.947 ))
( attr rmsd < 7.072 and attr rmsd > 7.012 )
6 6 0 peak 7361 volume 13.87080 ppm1 7.802 ppm2 7.042
assi (( attr rmsd < 7.831 and attr rmsd > 7.771 )
and bondedto( attr rmsd < 127.547 and attr rmsd > 126.947 ))
( attr rmsd < 0.882 and attr rmsd > 0.822 )
6 6 0 peak 7371 volume 14.19150 ppm1 7.801 ppm2 0.852
assi (( attr rmsd < 7.832 and attr rmsd > 7.772 )
and bondedto( attr rmsd < 127.547 and attr rmsd > 126.947 ))
( attr rmsd < 1.431 and attr rmsd > 1.371 )
6 6 0 peak 7381 volume 34.47190 ppm1 7.802 ppm2 1.401
assi (( attr rmsd < 9.431 and attr rmsd > 9.371 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 4.693 and attr rmsd > 4.633 )
6 6 0 peak 7391 volume 31.04020 ppm1 9.401 ppm2 4.663
assi (( attr rmsd < 9.431 and attr rmsd > 9.371 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 8.357 and attr rmsd > 8.297 )
6 6 0 peak 7411 volume 15.00170 ppm1 9.401 ppm2 8.327
assi (( attr rmsd < 9.431 and attr rmsd > 9.371 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 7.842 and attr rmsd > 7.782 )
6 6 0 peak 7421 volume 16.32750 ppm1 9.401 ppm2 7.812
assi (( attr rmsd < 8.019 and attr rmsd > 7.959 )
and bondedto( attr rmsd < 121.993 and attr rmsd > 121.393 ))
( attr rmsd < 7.721 and attr rmsd > 7.661 )
6 6 0 peak 7431 volume 18.93700 ppm1 7.989 ppm2 7.691
assi (( attr rmsd < 8.019 and attr rmsd > 7.959 )
and bondedto( attr rmsd < 121.993 and attr rmsd > 121.393 ))
( attr rmsd < 7.532 and attr rmsd > 7.472 )
6 6 0 peak 7441 volume 9.00540 ppm1 7.989 ppm2 7.502
assi (( attr rmsd < 8.019 and attr rmsd > 7.959 )
and bondedto( attr rmsd < 121.993 and attr rmsd > 121.393 ))
( attr rmsd < 2.622 and attr rmsd > 2.562 )
6 6 0 peak 7451 volume 41.02770 ppm1 7.989 ppm2 2.592
assi (( attr rmsd < 8.779 and attr rmsd > 8.719 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 3.252 and attr rmsd > 3.192 )
6 6 0 peak 7491 volume 14.33390 ppm1 8.749 ppm2 3.222
assi (( attr rmsd < 8.779 and attr rmsd > 8.719 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 2.472 and attr rmsd > 2.412 )
6 6 0 peak 7501 volume 65.51670 ppm1 8.749 ppm2 2.442
assi (( attr rmsd < 8.575 and attr rmsd > 8.515 )
and bondedto( attr rmsd < 128.068 and attr rmsd > 127.468 ))
( attr rmsd < 1.376 and attr rmsd > 1.316 )
6 6 0 peak 7511 volume 81.53820 ppm1 8.545 ppm2 1.346
assi (( attr rmsd < 8.575 and attr rmsd > 8.515 )
and bondedto( attr rmsd < 128.068 and attr rmsd > 127.468 ))
( attr rmsd < 1.791 and attr rmsd > 1.731 )
6 6 0 peak 7521 volume 119.23830 ppm1 8.545 ppm2 1.761
assi (( attr rmsd < 9.344 and attr rmsd > 9.284 )
and bondedto( attr rmsd < 126.853 and attr rmsd > 126.253 ))
( attr rmsd < 8.596 and attr rmsd > 8.536 )
6 6 0 peak 7531 volume 33.70640 ppm1 9.314 ppm2 8.566
assi (( attr rmsd < 9.112 and attr rmsd > 9.052 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 3.251 and attr rmsd > 3.191 )
6 6 0 peak 7571 volume 108.29880 ppm1 9.082 ppm2 3.221
assi (( attr rmsd < 9.112 and attr rmsd > 9.052 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 2.505 and attr rmsd > 2.445 )
6 6 0 peak 7581 volume 10.13600 ppm1 9.082 ppm2 2.475
assi (( attr rmsd < 9.112 and attr rmsd > 9.052 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 2.08 and attr rmsd > 2.02 )
6 6 0 peak 7591 volume 58.53820 ppm1 9.082 ppm2 2.050
assi (( attr rmsd < 8.337 and attr rmsd > 8.277 )
and bondedto( attr rmsd < 124.076 and attr rmsd > 123.476 ))
( attr rmsd < 2.06 and attr rmsd > 2 )
6 6 0 peak 7601 volume 15.86510 ppm1 8.307 ppm2 2.030
assi (( attr rmsd < 10.677 and attr rmsd > 10.617 )
and bondedto( attr rmsd < 120.951 and attr rmsd > 120.351 ))
( attr rmsd < 2.647 and attr rmsd > 2.587 )
6 6 0 peak 7611 volume 69.85650 ppm1 10.647 ppm2 2.617
assi (( attr rmsd < 8.27 and attr rmsd > 8.21 )
and bondedto( attr rmsd < 114.008 and attr rmsd > 113.408 ))
( attr rmsd < 2.237 and attr rmsd > 2.177 )
6 6 0 peak 7671 volume 29.94760 ppm1 8.240 ppm2 2.207
assi (( attr rmsd < 8.037 and attr rmsd > 7.977 )
and bondedto( attr rmsd < 124.77 and attr rmsd > 124.17 ))
( attr rmsd < 4.103 and attr rmsd > 4.043 )
6 6 0 peak 7681 volume 35.85870 ppm1 8.007 ppm2 4.073
assi (( attr rmsd < 8.037 and attr rmsd > 7.977 )
and bondedto( attr rmsd < 124.77 and attr rmsd > 124.17 ))
( attr rmsd < 2.973 and attr rmsd > 2.913 )
6 6 0 peak 7701 volume 12.18770 ppm1 8.007 ppm2 2.943
assi (( attr rmsd < 8.937 and attr rmsd > 8.877 )
and bondedto( attr rmsd < 113.487 and attr rmsd > 112.887 ))
( attr rmsd < 4.693 and attr rmsd > 4.633 )
6 6 0 peak 7711 volume 72.24480 ppm1 8.907 ppm2 4.663
assi (( attr rmsd < 7.433 and attr rmsd > 7.373 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 1.734 and attr rmsd > 1.674 )
6 6 0 peak 7721 volume 31.51970 ppm1 7.403 ppm2 1.704
assi (( attr rmsd < 7.433 and attr rmsd > 7.373 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 0.896 and attr rmsd > 0.836 )
6 6 0 peak 7731 volume 16.39820 ppm1 7.403 ppm2 0.866
assi (( attr rmsd < 8.165 and attr rmsd > 8.105 )
and bondedto( attr rmsd < 116.3 and attr rmsd > 115.7 ))
( attr rmsd < 0.095 and attr rmsd > 0.035 )
6 6 0 peak 7741 volume 8.63360 ppm1 8.135 ppm2 0.065
assi (( attr rmsd < 6.797 and attr rmsd > 6.737 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 2.017 and attr rmsd > 1.957 )
6 6 0 peak 7751 volume 27.69740 ppm1 6.767 ppm2 1.987
assi (( attr rmsd < 8.546 and attr rmsd > 8.486 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 0.054 and attr rmsd > -0.006 )
6 6 0 peak 7781 volume 9.41350 ppm1 8.516 ppm2 0.024
assi (( attr rmsd < 8.546 and attr rmsd > 8.486 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 0.378 and attr rmsd > 0.318 )
6 6 0 peak 7791 volume 19.40690 ppm1 8.516 ppm2 0.348
assi (( attr rmsd < 8.786 and attr rmsd > 8.726 )
and bondedto( attr rmsd < 116.959 and attr rmsd > 116.359 ))
( attr rmsd < 7.209 and attr rmsd > 7.149 )
6 6 0 peak 7801 volume 30.24310 ppm1 8.756 ppm2 7.179
assi (( attr rmsd < 8.703 and attr rmsd > 8.643 )
and bondedto( attr rmsd < 124.423 and attr rmsd > 123.823 ))
( attr rmsd < 8.189 and attr rmsd > 8.129 )
6 6 0 peak 7821 volume 32.74990 ppm1 8.673 ppm2 8.159
assi (( attr rmsd < 9.246 and attr rmsd > 9.186 )
and bondedto( attr rmsd < 125.464 and attr rmsd > 124.864 ))
( attr rmsd < 1.962 and attr rmsd > 1.902 )
6 6 0 peak 7831 volume 20.35680 ppm1 9.216 ppm2 1.932
assi (( attr rmsd < 8.745 and attr rmsd > 8.685 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 0.889 and attr rmsd > 0.829 )
6 6 0 peak 7841 volume 60.31010 ppm1 8.715 ppm2 0.859
assi (( attr rmsd < 8.745 and attr rmsd > 8.685 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 1.07 and attr rmsd > 1.01 )
6 6 0 peak 7851 volume 20.97320 ppm1 8.715 ppm2 1.040
assi (( attr rmsd < 9.216 and attr rmsd > 9.156 )
and bondedto( attr rmsd < 124.249 and attr rmsd > 123.649 ))
( attr rmsd < 4.898 and attr rmsd > 4.838 )
6 6 0 peak 7871 volume 15.98540 ppm1 9.186 ppm2 4.868
assi (( attr rmsd < 8.773 and attr rmsd > 8.713 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 6.891 and attr rmsd > 6.831 )
6 6 0 peak 7881 volume 16.08140 ppm1 8.743 ppm2 6.861
assi (( attr rmsd < 8.961 and attr rmsd > 8.901 )
and bondedto( attr rmsd < 109.668 and attr rmsd > 109.068 ))
( attr rmsd < 7.249 and attr rmsd > 7.189 )
6 6 0 peak 7891 volume 47.89300 ppm1 8.931 ppm2 7.219
assi (( attr rmsd < 8.961 and attr rmsd > 8.901 )
and bondedto( attr rmsd < 109.668 and attr rmsd > 109.068 ))
( attr rmsd < 6.642 and attr rmsd > 6.582 )
6 6 0 peak 7901 volume 28.45660 ppm1 8.931 ppm2 6.612
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 1.664 and attr rmsd > 1.604 )
6 6 0 peak 7921 volume 140.07130 ppm1 8.623 ppm2 1.634
assi (( attr rmsd < 8.012 and attr rmsd > 7.952 )
and bondedto( attr rmsd < 127.2 and attr rmsd > 126.6 ))
( attr rmsd < 8.69 and attr rmsd > 8.63 )
6 6 0 peak 7941 volume 43.76320 ppm1 7.982 ppm2 8.660
assi (( attr rmsd < 8.012 and attr rmsd > 7.952 )
and bondedto( attr rmsd < 127.2 and attr rmsd > 126.6 ))
( attr rmsd < 1.553 and attr rmsd > 1.493 )
6 6 0 peak 7951 volume 81.97400 ppm1 7.982 ppm2 1.523
assi (( attr rmsd < 8.012 and attr rmsd > 7.952 )
and bondedto( attr rmsd < 127.2 and attr rmsd > 126.6 ))
( attr rmsd < 0.708 and attr rmsd > 0.648 )
6 6 0 peak 7961 volume 91.48860 ppm1 7.982 ppm2 0.678
assi (( attr rmsd < 9.745 and attr rmsd > 9.685 )
and bondedto( attr rmsd < 126.679 and attr rmsd > 126.079 ))
( attr rmsd < 7.158 and attr rmsd > 7.098 )
6 6 0 peak 7991 volume 13.57530 ppm1 9.715 ppm2 7.128
assi (( attr rmsd < 9.745 and attr rmsd > 9.685 )
and bondedto( attr rmsd < 126.679 and attr rmsd > 126.079 ))
( attr rmsd < 6.917 and attr rmsd > 6.857 )
6 6 0 peak 8001 volume 6.26620 ppm1 9.715 ppm2 6.887
assi (( attr rmsd < 9.744 and attr rmsd > 9.684 )
and bondedto( attr rmsd < 126.679 and attr rmsd > 126.079 ))
( attr rmsd < 2.181 and attr rmsd > 2.121 )
6 6 0 peak 8021 volume 10.74530 ppm1 9.714 ppm2 2.151
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 129.804 and attr rmsd > 129.204 ))
( attr rmsd < 6.812 and attr rmsd > 6.752 )
6 6 0 peak 8031 volume 23.49480 ppm1 8.353 ppm2 6.782
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 129.804 and attr rmsd > 129.204 ))
( attr rmsd < 0.864 and attr rmsd > 0.804 )
6 6 0 peak 8041 volume 11.44580 ppm1 8.353 ppm2 0.834
assi (( attr rmsd < 8.382 and attr rmsd > 8.322 )
and bondedto( attr rmsd < 129.804 and attr rmsd > 129.204 ))
( attr rmsd < 3.214 and attr rmsd > 3.154 )
6 6 0 peak 8051 volume 14.32160 ppm1 8.352 ppm2 3.184
assi (( attr rmsd < 6.561 and attr rmsd > 6.501 )
and bondedto( attr rmsd < 114.528 and attr rmsd > 113.928 ))
( attr rmsd < 9.03 and attr rmsd > 8.97 )
6 6 0 peak 8071 volume 40.99090 ppm1 6.531 ppm2 9.000
assi (( attr rmsd < 6.561 and attr rmsd > 6.501 )
and bondedto( attr rmsd < 114.528 and attr rmsd > 113.928 ))
( attr rmsd < 1.3 and attr rmsd > 1.24 )
6 6 0 peak 8081 volume 15.85050 ppm1 6.531 ppm2 1.270
assi (( attr rmsd < 6.561 and attr rmsd > 6.501 )
and bondedto( attr rmsd < 114.528 and attr rmsd > 113.928 ))
( attr rmsd < 0.65 and attr rmsd > 0.59 )
6 6 0 peak 8091 volume 112.71010 ppm1 6.531 ppm2 0.620
assi (( attr rmsd < 8.253 and attr rmsd > 8.193 )
and bondedto( attr rmsd < 116.091 and attr rmsd > 115.491 ))
( attr rmsd < 7.414 and attr rmsd > 7.354 )
6 6 0 peak 8111 volume 11.91690 ppm1 8.223 ppm2 7.384
assi (( attr rmsd < 8.677 and attr rmsd > 8.617 )
and bondedto( attr rmsd < 123.208 and attr rmsd > 122.608 ))
( attr rmsd < 8.369 and attr rmsd > 8.309 )
6 6 0 peak 8131 volume 24.46690 ppm1 8.647 ppm2 8.339
assi (( attr rmsd < 8.677 and attr rmsd > 8.617 )
and bondedto( attr rmsd < 123.208 and attr rmsd > 122.608 ))
( attr rmsd < 1.626 and attr rmsd > 1.566 )
6 6 0 peak 8151 volume 49.70860 ppm1 8.647 ppm2 1.596
assi (( attr rmsd < 7.725 and attr rmsd > 7.665 )
and bondedto( attr rmsd < 113.14 and attr rmsd > 112.54 ))
( attr rmsd < 3.168 and attr rmsd > 3.108 )
6 6 0 peak 8161 volume 52.85710 ppm1 7.695 ppm2 3.138
assi (( attr rmsd < 7.725 and attr rmsd > 7.665 )
and bondedto( attr rmsd < 113.14 and attr rmsd > 112.54 ))
( attr rmsd < 4.25 and attr rmsd > 4.19 )
6 6 0 peak 8171 volume 38.95290 ppm1 7.695 ppm2 4.220
assi (( attr rmsd < 7.725 and attr rmsd > 7.665 )
and bondedto( attr rmsd < 113.14 and attr rmsd > 112.54 ))
( attr rmsd < 10.229 and attr rmsd > 10.169 )
6 6 0 peak 8181 volume 11.11310 ppm1 7.695 ppm2 10.199
assi (( attr rmsd < 8.64 and attr rmsd > 8.58 )
and bondedto( attr rmsd < 124.076 and attr rmsd > 123.476 ))
( attr rmsd < 7.174 and attr rmsd > 7.114 )
6 6 0 peak 8191 volume 24.56010 ppm1 8.610 ppm2 7.144
assi (( attr rmsd < 8.64 and attr rmsd > 8.58 )
and bondedto( attr rmsd < 124.076 and attr rmsd > 123.476 ))
( attr rmsd < 2.845 and attr rmsd > 2.785 )
6 6 0 peak 8201 volume 14.46190 ppm1 8.610 ppm2 2.815
assi (( attr rmsd < 8.64 and attr rmsd > 8.58 )
and bondedto( attr rmsd < 124.076 and attr rmsd > 123.476 ))
( attr rmsd < 3.077 and attr rmsd > 3.017 )
6 6 0 peak 8211 volume 18.81750 ppm1 8.610 ppm2 3.047
assi (( attr rmsd < 8.64 and attr rmsd > 8.58 )
and bondedto( attr rmsd < 124.076 and attr rmsd > 123.476 ))
( attr rmsd < 0.647 and attr rmsd > 0.587 )
6 6 0 peak 8221 volume 176.25380 ppm1 8.610 ppm2 0.617
assi (( attr rmsd < 9.254 and attr rmsd > 9.194 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 6.916 and attr rmsd > 6.856 )
6 6 0 peak 8231 volume 7.97050 ppm1 9.224 ppm2 6.886
assi (( attr rmsd < 9.254 and attr rmsd > 9.194 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 3.936 and attr rmsd > 3.876 )
6 6 0 peak 8241 volume 14.28600 ppm1 9.224 ppm2 3.906
assi (( attr rmsd < 9.254 and attr rmsd > 9.194 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 0.596 and attr rmsd > 0.536 )
6 6 0 peak 8251 volume 73.07470 ppm1 9.224 ppm2 0.566
assi (( attr rmsd < 9.13 and attr rmsd > 9.07 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 6.264 and attr rmsd > 6.204 )
6 6 0 peak 8261 volume 13.28930 ppm1 9.100 ppm2 6.234
assi (( attr rmsd < 9.13 and attr rmsd > 9.07 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 0.814 and attr rmsd > 0.754 )
6 6 0 peak 8271 volume 21.42150 ppm1 9.100 ppm2 0.784
assi (( attr rmsd < 8.457 and attr rmsd > 8.397 )
and bondedto( attr rmsd < 113.66 and attr rmsd > 113.06 ))
( attr rmsd < 3.108 and attr rmsd > 3.048 )
6 6 0 peak 8281 volume 8.62530 ppm1 8.427 ppm2 3.078
assi (( attr rmsd < 8.457 and attr rmsd > 8.397 )
and bondedto( attr rmsd < 113.66 and attr rmsd > 113.06 ))
( attr rmsd < 3.654 and attr rmsd > 3.594 )
6 6 0 peak 8291 volume 13.42250 ppm1 8.427 ppm2 3.624
assi (( attr rmsd < 8.457 and attr rmsd > 8.397 )
and bondedto( attr rmsd < 113.66 and attr rmsd > 113.06 ))
( attr rmsd < 3.977 and attr rmsd > 3.917 )
6 6 0 peak 8301 volume 14.51300 ppm1 8.427 ppm2 3.947
assi (( attr rmsd < 8.469 and attr rmsd > 8.409 )
and bondedto( attr rmsd < 113.66 and attr rmsd > 113.06 ))
( attr rmsd < 1.609 and attr rmsd > 1.549 )
6 6 0 peak 8311 volume 175.54179 ppm1 8.439 ppm2 1.579
assi (( attr rmsd < 8.469 and attr rmsd > 8.409 )
and bondedto( attr rmsd < 113.66 and attr rmsd > 113.06 ))
( attr rmsd < 1.609 and attr rmsd > 1.549 )
6 6 0 peak 8321 volume 175.54179 ppm1 8.439 ppm2 1.579
assi (( attr rmsd < 8.457 and attr rmsd > 8.397 )
and bondedto( attr rmsd < 113.66 and attr rmsd > 113.06 ))
( attr rmsd < 1.619 and attr rmsd > 1.559 )
6 6 0 peak 8331 volume 93.82960 ppm1 8.427 ppm2 1.589
assi (( attr rmsd < 8.457 and attr rmsd > 8.397 )
and bondedto( attr rmsd < 113.66 and attr rmsd > 113.06 ))
( attr rmsd < 1.852 and attr rmsd > 1.792 )
6 6 0 peak 8341 volume 52.24210 ppm1 8.427 ppm2 1.822
assi (( attr rmsd < 6.496 and attr rmsd > 6.436 )
and bondedto( attr rmsd < 111.23 and attr rmsd > 110.63 ))
( attr rmsd < 5.331 and attr rmsd > 5.271 )
6 6 0 peak 8361 volume 9.06550 ppm1 6.466 ppm2 5.301
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 0.46 and attr rmsd > 0.4 )
6 6 0 peak 8371 volume 17.67230 ppm1 7.687 ppm2 0.430
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 0.577 and attr rmsd > 0.517 )
6 6 0 peak 8381 volume 23.57290 ppm1 7.687 ppm2 0.547
assi (( attr rmsd < 8.788 and attr rmsd > 8.728 )
and bondedto( attr rmsd < 122.166 and attr rmsd > 121.566 ))
( attr rmsd < 1.218 and attr rmsd > 1.158 )
6 6 0 peak 8411 volume 89.66810 ppm1 8.758 ppm2 1.188
assi (( attr rmsd < 8.788 and attr rmsd > 8.728 )
and bondedto( attr rmsd < 122.166 and attr rmsd > 121.566 ))
( attr rmsd < 1.422 and attr rmsd > 1.362 )
6 6 0 peak 8431 volume 192.90170 ppm1 8.758 ppm2 1.392
assi (( attr rmsd < 8.948 and attr rmsd > 8.888 )
and bondedto( attr rmsd < 124.249 and attr rmsd > 123.649 ))
( attr rmsd < 1.915 and attr rmsd > 1.855 )
6 6 0 peak 8441 volume 351.28510 ppm1 8.918 ppm2 1.885
assi (( attr rmsd < 8.948 and attr rmsd > 8.888 )
and bondedto( attr rmsd < 124.249 and attr rmsd > 123.649 ))
( attr rmsd < 0.577 and attr rmsd > 0.517 )
6 6 0 peak 8451 volume 11.60100 ppm1 8.918 ppm2 0.547
assi (( attr rmsd < 8.351 and attr rmsd > 8.291 )
and bondedto( attr rmsd < 121.819 and attr rmsd > 121.219 ))
( attr rmsd < 6.911 and attr rmsd > 6.851 )
6 6 0 peak 8471 volume 39.59100 ppm1 8.321 ppm2 6.881
assi (( attr rmsd < 8.73 and attr rmsd > 8.67 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 0.919 and attr rmsd > 0.859 )
6 6 0 peak 8481 volume 51.84960 ppm1 8.700 ppm2 0.889
assi (( attr rmsd < 9.181 and attr rmsd > 9.121 )
and bondedto( attr rmsd < 112.445 and attr rmsd > 111.845 ))
( attr rmsd < 3.915 and attr rmsd > 3.855 )
6 6 0 peak 8501 volume 45.75230 ppm1 9.151 ppm2 3.885
assi (( attr rmsd < 9.04 and attr rmsd > 8.98 )
and bondedto( attr rmsd < 115.57 and attr rmsd > 114.97 ))
( attr rmsd < 0.663 and attr rmsd > 0.603 )
6 6 0 peak 8511 volume 32.73830 ppm1 9.010 ppm2 0.633
assi (( attr rmsd < 8.148 and attr rmsd > 8.088 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 5.632 and attr rmsd > 5.572 )
6 6 0 peak 8531 volume 15.56630 ppm1 8.118 ppm2 5.602
assi (( attr rmsd < 8.148 and attr rmsd > 8.088 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 3.652 and attr rmsd > 3.592 )
6 6 0 peak 8541 volume 79.86850 ppm1 8.118 ppm2 3.622
assi (( attr rmsd < 8.148 and attr rmsd > 8.088 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 3.732 and attr rmsd > 3.672 )
6 6 0 peak 8551 volume 26.74680 ppm1 8.118 ppm2 3.702
assi (( attr rmsd < 8.457 and attr rmsd > 8.397 )
and bondedto( attr rmsd < 122.513 and attr rmsd > 121.913 ))
( attr rmsd < 4.896 and attr rmsd > 4.836 )
6 6 0 peak 8561 volume 56.68490 ppm1 8.427 ppm2 4.866
assi (( attr rmsd < 8.457 and attr rmsd > 8.397 )
and bondedto( attr rmsd < 122.513 and attr rmsd > 121.913 ))
( attr rmsd < 2.899 and attr rmsd > 2.839 )
6 6 0 peak 8581 volume 54.20860 ppm1 8.427 ppm2 2.869
assi (( attr rmsd < 8.458 and attr rmsd > 8.398 )
and bondedto( attr rmsd < 122.513 and attr rmsd > 121.913 ))
( attr rmsd < 3.228 and attr rmsd > 3.168 )
6 6 0 peak 8591 volume 65.85970 ppm1 8.428 ppm2 3.198
assi (( attr rmsd < 8.947 and attr rmsd > 8.887 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 5.01 and attr rmsd > 4.95 )
6 6 0 peak 8611 volume 39.16830 ppm1 8.917 ppm2 4.980
assi (( attr rmsd < 8.947 and attr rmsd > 8.887 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 8.433 and attr rmsd > 8.373 )
6 6 0 peak 8621 volume 19.15220 ppm1 8.917 ppm2 8.403
assi (( attr rmsd < 8.947 and attr rmsd > 8.887 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 9.517 and attr rmsd > 9.457 )
6 6 0 peak 8631 volume 43.24430 ppm1 8.917 ppm2 9.487
assi (( attr rmsd < 8.053 and attr rmsd > 7.993 )
and bondedto( attr rmsd < 118.521 and attr rmsd > 117.921 ))
( attr rmsd < 9.505 and attr rmsd > 9.445 )
6 6 0 peak 8641 volume 25.24210 ppm1 8.023 ppm2 9.475
assi (( attr rmsd < 8.053 and attr rmsd > 7.993 )
and bondedto( attr rmsd < 118.521 and attr rmsd > 117.921 ))
( attr rmsd < 2.126 and attr rmsd > 2.066 )
6 6 0 peak 8651 volume 33.75360 ppm1 8.023 ppm2 2.096
assi (( attr rmsd < 8.865 and attr rmsd > 8.805 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 0.625 and attr rmsd > 0.565 )
6 6 0 peak 8661 volume 19.16510 ppm1 8.835 ppm2 0.595
assi (( attr rmsd < 8.179 and attr rmsd > 8.119 )
and bondedto( attr rmsd < 122.34 and attr rmsd > 121.74 ))
( attr rmsd < 0.902 and attr rmsd > 0.842 )
6 6 0 peak 8671 volume 90.18270 ppm1 8.149 ppm2 0.872
assi (( attr rmsd < 9.531 and attr rmsd > 9.471 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 6.83 and attr rmsd > 6.77 )
6 6 0 peak 8691 volume 16.53360 ppm1 9.501 ppm2 6.800
assi (( attr rmsd < 9.531 and attr rmsd > 9.471 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 7.404 and attr rmsd > 7.344 )
6 6 0 peak 8701 volume 42.87690 ppm1 9.501 ppm2 7.374
assi (( attr rmsd < 8.004 and attr rmsd > 7.944 )
and bondedto( attr rmsd < 110.71 and attr rmsd > 110.11 ))
( attr rmsd < 3.165 and attr rmsd > 3.105 )
6 6 0 peak 8711 volume 16.18970 ppm1 7.974 ppm2 3.135
assi (( attr rmsd < 8.534 and attr rmsd > 8.474 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 1.851 and attr rmsd > 1.791 )
6 6 0 peak 8731 volume 25.84270 ppm1 8.504 ppm2 1.821
assi (( attr rmsd < 8.505 and attr rmsd > 8.445 )
and bondedto( attr rmsd < 109.494 and attr rmsd > 108.894 ))
( attr rmsd < 0.036 and attr rmsd > -0.024 )
6 6 0 peak 8741 volume 7.99520 ppm1 8.475 ppm2 0.006
assi (( attr rmsd < 8.436 and attr rmsd > 8.376 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 9.235 and attr rmsd > 9.175 )
6 6 0 peak 8751 volume 18.67570 ppm1 8.406 ppm2 9.205
assi (( attr rmsd < 7.895 and attr rmsd > 7.835 )
and bondedto( attr rmsd < 120.951 and attr rmsd > 120.351 ))
( attr rmsd < 0.067 and attr rmsd > 0.007 )
6 6 0 peak 8771 volume 7.90370 ppm1 7.865 ppm2 0.037
assi (( attr rmsd < 7.798 and attr rmsd > 7.738 )
and bondedto( attr rmsd < 123.034 and attr rmsd > 122.434 ))
( attr rmsd < 3.679 and attr rmsd > 3.619 )
6 6 0 peak 8781 volume 35.77600 ppm1 7.768 ppm2 3.649
assi (( attr rmsd < 8.333 and attr rmsd > 8.273 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < 2.481 and attr rmsd > 2.421 )
6 6 0 peak 8791 volume 8.34000 ppm1 8.303 ppm2 2.451
assi (( attr rmsd < 8.333 and attr rmsd > 8.273 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < 6.221 and attr rmsd > 6.161 )
6 6 0 peak 8801 volume 9.64890 ppm1 8.303 ppm2 6.191
assi (( attr rmsd < 8.66 and attr rmsd > 8.6 )
and bondedto( attr rmsd < 113.313 and attr rmsd > 112.713 ))
( attr rmsd < 7.849 and attr rmsd > 7.789 )
6 6 0 peak 8811 volume 5.35960 ppm1 8.630 ppm2 7.819
assi (( attr rmsd < 9.222 and attr rmsd > 9.162 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 9 and attr rmsd > 8.94 )
6 6 0 peak 8831 volume 20.06910 ppm1 9.192 ppm2 8.970
assi (( attr rmsd < 8.956 and attr rmsd > 8.896 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 5.01 and attr rmsd > 4.95 )
6 6 0 peak 8841 volume 10.84770 ppm1 8.926 ppm2 4.980
assi (( attr rmsd < 9.277 and attr rmsd > 9.217 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 5.956 and attr rmsd > 5.896 )
6 6 0 peak 8851 volume 11.98310 ppm1 9.247 ppm2 5.926
assi (( attr rmsd < 9.278 and attr rmsd > 9.218 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 6.825 and attr rmsd > 6.765 )
6 6 0 peak 8861 volume 20.24470 ppm1 9.248 ppm2 6.795
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 9.21 and attr rmsd > 9.15 )
6 6 0 peak 8871 volume 30.42910 ppm1 8.117 ppm2 9.180
assi (( attr rmsd < 9.431 and attr rmsd > 9.371 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 5.122 and attr rmsd > 5.062 )
6 6 0 peak 8881 volume 40.90590 ppm1 9.401 ppm2 5.092
assi (( attr rmsd < 8.745 and attr rmsd > 8.685 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 8.507 and attr rmsd > 8.447 )
6 6 0 peak 8891 volume 49.51750 ppm1 8.715 ppm2 8.477
assi (( attr rmsd < 9.216 and attr rmsd > 9.156 )
and bondedto( attr rmsd < 124.249 and attr rmsd > 123.649 ))
( attr rmsd < 6.577 and attr rmsd > 6.517 )
6 6 0 peak 8901 volume 4.45850 ppm1 9.186 ppm2 6.547
assi (( attr rmsd < 8.597 and attr rmsd > 8.537 )
and bondedto( attr rmsd < 116.091 and attr rmsd > 115.491 ))
( attr rmsd < 9.19 and attr rmsd > 9.13 )
6 6 0 peak 8921 volume 9.26480 ppm1 8.567 ppm2 9.160
assi (( attr rmsd < 8.597 and attr rmsd > 8.537 )
and bondedto( attr rmsd < 116.091 and attr rmsd > 115.491 ))
( attr rmsd < 6.956 and attr rmsd > 6.896 )
6 6 0 peak 8941 volume 23.77600 ppm1 8.567 ppm2 6.926
assi (( attr rmsd < 8.597 and attr rmsd > 8.537 )
and bondedto( attr rmsd < 116.091 and attr rmsd > 115.491 ))
( attr rmsd < 6.771 and attr rmsd > 6.711 )
6 6 0 peak 8951 volume 23.41550 ppm1 8.567 ppm2 6.741
assi (( attr rmsd < 8.597 and attr rmsd > 8.537 )
and bondedto( attr rmsd < 116.091 and attr rmsd > 115.491 ))
( attr rmsd < 6.256 and attr rmsd > 6.196 )
6 6 0 peak 8961 volume 10.95750 ppm1 8.567 ppm2 6.226
assi (( attr rmsd < 6.797 and attr rmsd > 6.737 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 7.575 and attr rmsd > 7.515 )
6 6 0 peak 8971 volume 8.78500 ppm1 6.767 ppm2 7.545
assi (( attr rmsd < 6.797 and attr rmsd > 6.737 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 7.184 and attr rmsd > 7.124 )
6 6 0 peak 8981 volume 11.69710 ppm1 6.767 ppm2 7.154
assi (( attr rmsd < 6.797 and attr rmsd > 6.737 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 6.52 and attr rmsd > 6.46 )
6 6 0 peak 8991 volume 8.38950 ppm1 6.767 ppm2 6.490
assi (( attr rmsd < 9.216 and attr rmsd > 9.156 )
and bondedto( attr rmsd < 124.249 and attr rmsd > 123.649 ))
( attr rmsd < 8.74 and attr rmsd > 8.68 )
6 6 0 peak 9001 volume 14.83490 ppm1 9.186 ppm2 8.710
assi (( attr rmsd < 8.546 and attr rmsd > 8.486 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 6.764 and attr rmsd > 6.704 )
6 6 0 peak 9011 volume 35.12840 ppm1 8.516 ppm2 6.734
assi (( attr rmsd < 8.546 and attr rmsd > 8.486 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 6.935 and attr rmsd > 6.875 )
6 6 0 peak 9021 volume 12.19270 ppm1 8.516 ppm2 6.905
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 9.624 and attr rmsd > 9.564 )
6 6 0 peak 9051 volume 8.91550 ppm1 8.623 ppm2 9.594
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 10.173 and attr rmsd > 10.113 )
6 6 0 peak 9061 volume 8.89030 ppm1 8.623 ppm2 10.143
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 6.845 and attr rmsd > 6.785 )
6 6 0 peak 9071 volume 15.37630 ppm1 8.623 ppm2 6.815
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 129.804 and attr rmsd > 129.204 ))
( attr rmsd < 4.693 and attr rmsd > 4.633 )
6 6 0 peak 9081 volume 78.56540 ppm1 8.353 ppm2 4.663
assi (( attr rmsd < 9.745 and attr rmsd > 9.685 )
and bondedto( attr rmsd < 126.679 and attr rmsd > 126.079 ))
( attr rmsd < 4.694 and attr rmsd > 4.634 )
6 6 0 peak 9091 volume 38.46270 ppm1 9.715 ppm2 4.664
assi (( attr rmsd < 8.948 and attr rmsd > 8.888 )
and bondedto( attr rmsd < 124.249 and attr rmsd > 123.649 ))
( attr rmsd < 5.971 and attr rmsd > 5.911 )
6 6 0 peak 9171 volume 14.82060 ppm1 8.918 ppm2 5.941
assi (( attr rmsd < 8.948 and attr rmsd > 8.888 )
and bondedto( attr rmsd < 124.249 and attr rmsd > 123.649 ))
( attr rmsd < 7.069 and attr rmsd > 7.009 )
6 6 0 peak 9181 volume 9.20730 ppm1 8.918 ppm2 7.039
assi (( attr rmsd < 8.179 and attr rmsd > 8.119 )
and bondedto( attr rmsd < 122.34 and attr rmsd > 121.74 ))
( attr rmsd < 9.84 and attr rmsd > 9.78 )
6 6 0 peak 9201 volume 4.86420 ppm1 8.149 ppm2 9.810
assi (( attr rmsd < 9.308 and attr rmsd > 9.248 )
and bondedto( attr rmsd < 108.627 and attr rmsd > 108.027 ))
( attr rmsd < 2.981 and attr rmsd > 2.921 )
6 6 0 peak 9221 volume 4.88210 ppm1 9.278 ppm2 2.951
assi (( attr rmsd < 9.309 and attr rmsd > 9.249 )
and bondedto( attr rmsd < 108.627 and attr rmsd > 108.027 ))
( attr rmsd < 1.223 and attr rmsd > 1.163 )
6 6 0 peak 9231 volume 35.96280 ppm1 9.279 ppm2 1.193
assi (( attr rmsd < 9.309 and attr rmsd > 9.249 )
and bondedto( attr rmsd < 108.627 and attr rmsd > 108.027 ))
( attr rmsd < 1.401 and attr rmsd > 1.341 )
6 6 0 peak 9241 volume 55.52590 ppm1 9.279 ppm2 1.371
assi (( attr rmsd < 8.179 and attr rmsd > 8.119 )
and bondedto( attr rmsd < 122.34 and attr rmsd > 121.74 ))
( attr rmsd < 7.282 and attr rmsd > 7.222 )
6 6 0 peak 9251 volume 43.51300 ppm1 8.149 ppm2 7.252
assi (( attr rmsd < 8.179 and attr rmsd > 8.119 )
and bondedto( attr rmsd < 122.34 and attr rmsd > 121.74 ))
( attr rmsd < 5.874 and attr rmsd > 5.814 )
6 6 0 peak 9261 volume 7.05550 ppm1 8.149 ppm2 5.844
assi (( attr rmsd < 8.005 and attr rmsd > 7.945 )
and bondedto( attr rmsd < 110.71 and attr rmsd > 110.11 ))
( attr rmsd < 8.938 and attr rmsd > 8.878 )
6 6 0 peak 9281 volume 16.79680 ppm1 7.975 ppm2 8.908
assi (( attr rmsd < 8.005 and attr rmsd > 7.945 )
and bondedto( attr rmsd < 110.71 and attr rmsd > 110.11 ))
( attr rmsd < 5.291 and attr rmsd > 5.231 )
6 6 0 peak 9291 volume 41.17850 ppm1 7.975 ppm2 5.261
assi (( attr rmsd < 8.779 and attr rmsd > 8.719 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 6.868 and attr rmsd > 6.808 )
6 6 0 peak 9321 volume 14.11520 ppm1 8.749 ppm2 6.838
assi (( attr rmsd < 8.779 and attr rmsd > 8.719 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 7.688 and attr rmsd > 7.628 )
6 6 0 peak 9331 volume 9.16390 ppm1 8.749 ppm2 7.658
assi (( attr rmsd < 8.005 and attr rmsd > 7.945 )
and bondedto( attr rmsd < 110.71 and attr rmsd > 110.11 ))
( attr rmsd < 8.294 and attr rmsd > 8.234 )
6 6 0 peak 9371 volume 29.02300 ppm1 7.975 ppm2 8.264
assi (( attr rmsd < 8.505 and attr rmsd > 8.445 )
and bondedto( attr rmsd < 109.494 and attr rmsd > 108.894 ))
( attr rmsd < 6.918 and attr rmsd > 6.858 )
6 6 0 peak 9381 volume 13.25670 ppm1 8.475 ppm2 6.888
assi (( attr rmsd < 8.505 and attr rmsd > 8.445 )
and bondedto( attr rmsd < 109.494 and attr rmsd > 108.894 ))
( attr rmsd < 5.317 and attr rmsd > 5.257 )
6 6 0 peak 9391 volume 4.42970 ppm1 8.475 ppm2 5.287
assi (( attr rmsd < 8.505 and attr rmsd > 8.445 )
and bondedto( attr rmsd < 109.494 and attr rmsd > 108.894 ))
( attr rmsd < 5.599 and attr rmsd > 5.539 )
6 6 0 peak 9401 volume 8.62350 ppm1 8.475 ppm2 5.569
assi (( attr rmsd < 8.454 and attr rmsd > 8.394 )
and bondedto( attr rmsd < 119.215 and attr rmsd > 118.615 ))
( attr rmsd < 7.226 and attr rmsd > 7.166 )
6 6 0 peak 9411 volume 46.61430 ppm1 8.424 ppm2 7.196
assi (( attr rmsd < 7.974 and attr rmsd > 7.914 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 7.229 and attr rmsd > 7.169 )
6 6 0 peak 9421 volume 11.80010 ppm1 7.944 ppm2 7.199
assi (( attr rmsd < 7.974 and attr rmsd > 7.914 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 3.647 and attr rmsd > 3.587 )
6 6 0 peak 9431 volume 13.05470 ppm1 7.944 ppm2 3.617
assi (( attr rmsd < 7.974 and attr rmsd > 7.914 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 1.446 and attr rmsd > 1.386 )
6 6 0 peak 9441 volume 4.15620 ppm1 7.944 ppm2 1.416
assi (( attr rmsd < 7.974 and attr rmsd > 7.914 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 1.236 and attr rmsd > 1.176 )
6 6 0 peak 9451 volume 17.74010 ppm1 7.944 ppm2 1.206
assi (( attr rmsd < 7.895 and attr rmsd > 7.835 )
and bondedto( attr rmsd < 120.951 and attr rmsd > 120.351 ))
( attr rmsd < 7.452 and attr rmsd > 7.392 )
6 6 0 peak 9461 volume 30.73720 ppm1 7.865 ppm2 7.422
assi (( attr rmsd < 7.895 and attr rmsd > 7.835 )
and bondedto( attr rmsd < 120.951 and attr rmsd > 120.351 ))
( attr rmsd < 8.497 and attr rmsd > 8.437 )
6 6 0 peak 9471 volume 7.92910 ppm1 7.865 ppm2 8.467
assi (( attr rmsd < 7.895 and attr rmsd > 7.835 )
and bondedto( attr rmsd < 120.951 and attr rmsd > 120.351 ))
( attr rmsd < 6.989 and attr rmsd > 6.929 )
6 6 0 peak 9481 volume 10.88640 ppm1 7.865 ppm2 6.959
assi (( attr rmsd < 7.895 and attr rmsd > 7.835 )
and bondedto( attr rmsd < 120.951 and attr rmsd > 120.351 ))
( attr rmsd < 3.659 and attr rmsd > 3.599 )
6 6 0 peak 9491 volume 6.22840 ppm1 7.865 ppm2 3.629
assi (( attr rmsd < 7.611 and attr rmsd > 7.551 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 5.195 and attr rmsd > 5.135 )
6 6 0 peak 9501 volume 17.74620 ppm1 7.581 ppm2 5.165
assi (( attr rmsd < 7.611 and attr rmsd > 7.551 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 3.219 and attr rmsd > 3.159 )
6 6 0 peak 9511 volume 6.93170 ppm1 7.581 ppm2 3.189
assi (( attr rmsd < 7.611 and attr rmsd > 7.551 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 3.422 and attr rmsd > 3.362 )
6 6 0 peak 9521 volume 22.73910 ppm1 7.581 ppm2 3.392
assi (( attr rmsd < 7.611 and attr rmsd > 7.551 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 2.136 and attr rmsd > 2.076 )
6 6 0 peak 9531 volume 11.41280 ppm1 7.581 ppm2 2.106
assi (( attr rmsd < 7.798 and attr rmsd > 7.738 )
and bondedto( attr rmsd < 123.034 and attr rmsd > 122.434 ))
( attr rmsd < 10.039 and attr rmsd > 9.979 )
6 6 0 peak 9551 volume 8.28190 ppm1 7.768 ppm2 10.009
assi (( attr rmsd < 7.798 and attr rmsd > 7.738 )
and bondedto( attr rmsd < 123.034 and attr rmsd > 122.434 ))
( attr rmsd < 7.039 and attr rmsd > 6.979 )
6 6 0 peak 9561 volume 9.85660 ppm1 7.768 ppm2 7.009
assi (( attr rmsd < 7.798 and attr rmsd > 7.738 )
and bondedto( attr rmsd < 123.034 and attr rmsd > 122.434 ))
( attr rmsd < 5.706 and attr rmsd > 5.646 )
6 6 0 peak 9571 volume 12.93920 ppm1 7.768 ppm2 5.676
assi (( attr rmsd < 8.333 and attr rmsd > 8.273 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < 9.912 and attr rmsd > 9.852 )
6 6 0 peak 9581 volume 4.18270 ppm1 8.303 ppm2 9.882
assi (( attr rmsd < 8.333 and attr rmsd > 8.273 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < 7.377 and attr rmsd > 7.317 )
6 6 0 peak 9591 volume 7.01990 ppm1 8.303 ppm2 7.347
assi (( attr rmsd < 8.333 and attr rmsd > 8.273 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < 7.006 and attr rmsd > 6.946 )
6 6 0 peak 9601 volume 6.85990 ppm1 8.303 ppm2 6.976
assi (( attr rmsd < 8.333 and attr rmsd > 8.273 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < 2.057 and attr rmsd > 1.997 )
6 6 0 peak 9611 volume 5.43330 ppm1 8.303 ppm2 2.027
assi (( attr rmsd < 8.051 and attr rmsd > 7.991 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 7.531 and attr rmsd > 7.471 )
6 6 0 peak 9631 volume 21.86850 ppm1 8.021 ppm2 7.501
assi (( attr rmsd < 8.38 and attr rmsd > 8.32 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 9.827 and attr rmsd > 9.767 )
6 6 0 peak 9641 volume 11.28410 ppm1 8.350 ppm2 9.797
assi (( attr rmsd < 8.098 and attr rmsd > 8.038 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < 7.508 and attr rmsd > 7.448 )
6 6 0 peak 9651 volume 19.50500 ppm1 8.068 ppm2 7.478
assi (( attr rmsd < 8.098 and attr rmsd > 8.038 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < 1.251 and attr rmsd > 1.191 )
6 6 0 peak 9661 volume 8.53280 ppm1 8.068 ppm2 1.221
assi (( attr rmsd < 8.098 and attr rmsd > 8.038 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < 1.03 and attr rmsd > 0.97 )
6 6 0 peak 9671 volume 16.10250 ppm1 8.068 ppm2 1.000
assi (( attr rmsd < 9.873 and attr rmsd > 9.813 )
and bondedto( attr rmsd < 114.876 and attr rmsd > 114.276 ))
( attr rmsd < 0.825 and attr rmsd > 0.765 )
6 6 0 peak 9691 volume 5.08570 ppm1 9.843 ppm2 0.795
assi (( attr rmsd < 9.873 and attr rmsd > 9.813 )
and bondedto( attr rmsd < 114.876 and attr rmsd > 114.276 ))
( attr rmsd < 1.4 and attr rmsd > 1.34 )
6 6 0 peak 9701 volume 5.29140 ppm1 9.843 ppm2 1.370
assi (( attr rmsd < 8.037 and attr rmsd > 7.977 )
and bondedto( attr rmsd < 124.77 and attr rmsd > 124.17 ))
( attr rmsd < 3.208 and attr rmsd > 3.148 )
6 6 0 peak 9711 volume 7.12150 ppm1 8.007 ppm2 3.178
assi (( attr rmsd < 7.537 and attr rmsd > 7.477 )
and bondedto( attr rmsd < 109.321 and attr rmsd > 108.721 ))
( attr rmsd < 2.138 and attr rmsd > 2.078 )
6 6 0 peak 9741 volume 44.09460 ppm1 7.507 ppm2 2.108
assi (( attr rmsd < 8.392 and attr rmsd > 8.332 )
and bondedto( attr rmsd < 112.966 and attr rmsd > 112.366 ))
( attr rmsd < 7.794 and attr rmsd > 7.734 )
6 6 0 peak 9751 volume 7.34690 ppm1 8.362 ppm2 7.764
assi (( attr rmsd < 8.392 and attr rmsd > 8.332 )
and bondedto( attr rmsd < 112.966 and attr rmsd > 112.366 ))
( attr rmsd < 3.477 and attr rmsd > 3.417 )
6 6 0 peak 9761 volume 6.06070 ppm1 8.362 ppm2 3.447
assi (( attr rmsd < 9.103 and attr rmsd > 9.043 )
and bondedto( attr rmsd < 128.936 and attr rmsd > 128.336 ))
( attr rmsd < 0.739 and attr rmsd > 0.679 )
6 6 0 peak 9771 volume 16.59020 ppm1 9.073 ppm2 0.709
assi (( attr rmsd < 7.952 and attr rmsd > 7.892 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 9.168 and attr rmsd > 9.108 )
6 6 0 peak 9781 volume 26.76430 ppm1 7.922 ppm2 9.138
assi (( attr rmsd < 7.952 and attr rmsd > 7.892 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 2.621 and attr rmsd > 2.561 )
6 6 0 peak 9791 volume 14.77810 ppm1 7.922 ppm2 2.591
assi (( attr rmsd < 7.952 and attr rmsd > 7.892 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 2.271 and attr rmsd > 2.211 )
6 6 0 peak 9801 volume 39.97790 ppm1 7.922 ppm2 2.241
assi (( attr rmsd < 8.012 and attr rmsd > 7.952 )
and bondedto( attr rmsd < 127.2 and attr rmsd > 126.6 ))
( attr rmsd < 2.46 and attr rmsd > 2.4 )
6 6 0 peak 9811 volume 12.33820 ppm1 7.982 ppm2 2.430
assi (( attr rmsd < 8.012 and attr rmsd > 7.952 )
and bondedto( attr rmsd < 127.2 and attr rmsd > 126.6 ))
( attr rmsd < 0.904 and attr rmsd > 0.844 )
6 6 0 peak 9821 volume 27.21960 ppm1 7.982 ppm2 0.874
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 129.804 and attr rmsd > 129.204 ))
( attr rmsd < 1.215 and attr rmsd > 1.155 )
6 6 0 peak 9831 volume 13.37090 ppm1 8.353 ppm2 1.185
assi (( attr rmsd < 8.865 and attr rmsd > 8.805 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 2.295 and attr rmsd > 2.235 )
6 6 0 peak 9841 volume 31.09350 ppm1 8.835 ppm2 2.265
assi (( attr rmsd < 8.505 and attr rmsd > 8.445 )
and bondedto( attr rmsd < 109.494 and attr rmsd > 108.894 ))
( attr rmsd < 2.053 and attr rmsd > 1.993 )
6 6 0 peak 9851 volume 16.45960 ppm1 8.475 ppm2 2.023
assi (( attr rmsd < 8.037 and attr rmsd > 7.977 )
and bondedto( attr rmsd < 124.77 and attr rmsd > 124.17 ))
( attr rmsd < 1.942 and attr rmsd > 1.882 )
6 6 0 peak 9861 volume 9.81970 ppm1 8.007 ppm2 1.912
assi (( attr rmsd < 9.216 and attr rmsd > 9.156 )
and bondedto( attr rmsd < 124.249 and attr rmsd > 123.649 ))
( attr rmsd < 1.092 and attr rmsd > 1.032 )
6 6 0 peak 9871 volume 25.25590 ppm1 9.186 ppm2 1.062
assi (( attr rmsd < 8.961 and attr rmsd > 8.901 )
and bondedto( attr rmsd < 109.668 and attr rmsd > 109.068 ))
( attr rmsd < 8.568 and attr rmsd > 8.508 )
6 6 0 peak 9881 volume 22.25980 ppm1 8.931 ppm2 8.538
assi (( attr rmsd < 8.961 and attr rmsd > 8.901 )
and bondedto( attr rmsd < 109.668 and attr rmsd > 109.068 ))
( attr rmsd < 0.516 and attr rmsd > 0.456 )
6 6 0 peak 9891 volume 11.51860 ppm1 8.931 ppm2 0.486
assi (( attr rmsd < 9.48 and attr rmsd > 9.42 )
and bondedto( attr rmsd < 120.604 and attr rmsd > 120.004 ))
( attr rmsd < 5.974 and attr rmsd > 5.914 )
6 6 0 peak 9901 volume 13.81360 ppm1 9.450 ppm2 5.944
assi (( attr rmsd < 8.64 and attr rmsd > 8.58 )
and bondedto( attr rmsd < 124.076 and attr rmsd > 123.476 ))
( attr rmsd < 9.549 and attr rmsd > 9.489 )
6 6 0 peak 9911 volume 10.54690 ppm1 8.610 ppm2 9.519
assi (( attr rmsd < 8.549 and attr rmsd > 8.489 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 5.804 and attr rmsd > 5.744 )
6 6 0 peak 9921 volume 19.13470 ppm1 8.519 ppm2 5.774
assi (( attr rmsd < 8.52 and attr rmsd > 8.46 )
and bondedto( attr rmsd < 115.917 and attr rmsd > 115.317 ))
( attr rmsd < 6.513 and attr rmsd > 6.453 )
6 6 0 peak 9931 volume 22.27850 ppm1 8.490 ppm2 6.483
assi (( attr rmsd < 8.52 and attr rmsd > 8.46 )
and bondedto( attr rmsd < 115.917 and attr rmsd > 115.317 ))
( attr rmsd < 2.83 and attr rmsd > 2.77 )
6 6 0 peak 9941 volume 7.19010 ppm1 8.490 ppm2 2.800
assi (( attr rmsd < 8.52 and attr rmsd > 8.46 )
and bondedto( attr rmsd < 115.917 and attr rmsd > 115.317 ))
( attr rmsd < 1.998 and attr rmsd > 1.938 )
6 6 0 peak 9951 volume 24.80080 ppm1 8.490 ppm2 1.968
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 112.272 and attr rmsd > 111.672 ))
( attr rmsd < 9.253 and attr rmsd > 9.193 )
6 6 0 peak 9961 volume 8.94660 ppm1 8.117 ppm2 9.223
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 112.272 and attr rmsd > 111.672 ))
( attr rmsd < 5.175 and attr rmsd > 5.115 )
6 6 0 peak 9971 volume 8.70240 ppm1 8.117 ppm2 5.145
assi (( attr rmsd < 8.745 and attr rmsd > 8.685 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 2.717 and attr rmsd > 2.657 )
6 6 0 peak 9981 volume 13.84090 ppm1 8.715 ppm2 2.687
assi (( attr rmsd < 8.745 and attr rmsd > 8.685 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 2.508 and attr rmsd > 2.448 )
6 6 0 peak 9991 volume 14.18120 ppm1 8.715 ppm2 2.478
assi (( attr rmsd < 8.534 and attr rmsd > 8.474 )
and bondedto( attr rmsd < 114.181 and attr rmsd > 113.581 ))
( attr rmsd < 2.532 and attr rmsd > 2.472 )
6 6 0 peak 10001 volume 23.53830 ppm1 8.504 ppm2 2.502
assi (( attr rmsd < 9.431 and attr rmsd > 9.371 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 6.311 and attr rmsd > 6.251 )
6 6 0 peak 10011 volume 10.00370 ppm1 9.401 ppm2 6.281
assi (( attr rmsd < 9.431 and attr rmsd > 9.371 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 3.93 and attr rmsd > 3.87 )
6 6 0 peak 10021 volume 13.10940 ppm1 9.401 ppm2 3.900
assi (( attr rmsd < 9.431 and attr rmsd > 9.371 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 1.534 and attr rmsd > 1.474 )
6 6 0 peak 10031 volume 71.10450 ppm1 9.401 ppm2 1.504
assi (( attr rmsd < 7.669 and attr rmsd > 7.609 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 8.01 and attr rmsd > 7.95 )
6 6 0 peak 10041 volume 17.42120 ppm1 7.639 ppm2 7.980
assi (( attr rmsd < 7.669 and attr rmsd > 7.609 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 4.739 and attr rmsd > 4.679 )
6 6 0 peak 10051 volume 25.81820 ppm1 7.639 ppm2 4.709
assi (( attr rmsd < 7.669 and attr rmsd > 7.609 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 2.054 and attr rmsd > 1.994 )
6 6 0 peak 10061 volume 11.18090 ppm1 7.639 ppm2 2.024
assi (( attr rmsd < 7.669 and attr rmsd > 7.609 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 1.238 and attr rmsd > 1.178 )
6 6 0 peak 10071 volume 40.49070 ppm1 7.639 ppm2 1.208
assi (( attr rmsd < 10.677 and attr rmsd > 10.617 )
and bondedto( attr rmsd < 120.951 and attr rmsd > 120.351 ))
( attr rmsd < 1.759 and attr rmsd > 1.699 )
6 6 0 peak 10081 volume 12.31620 ppm1 10.647 ppm2 1.729
assi (( attr rmsd < 8.597 and attr rmsd > 8.537 )
and bondedto( attr rmsd < 116.091 and attr rmsd > 115.491 ))
( attr rmsd < 2.668 and attr rmsd > 2.608 )
6 6 0 peak 10091 volume 16.31770 ppm1 8.567 ppm2 2.638
assi (( attr rmsd < 8.435 and attr rmsd > 8.375 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 0.303 and attr rmsd > 0.243 )
6 6 0 peak 10101 volume 7.24230 ppm1 8.405 ppm2 0.273
assi (( attr rmsd < 9.441 and attr rmsd > 9.381 )
and bondedto( attr rmsd < 120.604 and attr rmsd > 120.004 ))
( attr rmsd < 6.827 and attr rmsd > 6.767 )
6 6 0 peak 10141 volume 13.95940 ppm1 9.411 ppm2 6.797
assi (( attr rmsd < 9.441 and attr rmsd > 9.381 )
and bondedto( attr rmsd < 120.604 and attr rmsd > 120.004 ))
( attr rmsd < 0.925 and attr rmsd > 0.865 )
6 6 0 peak 10151 volume 22.97570 ppm1 9.411 ppm2 0.895
assi (( attr rmsd < 9.441 and attr rmsd > 9.381 )
and bondedto( attr rmsd < 120.604 and attr rmsd > 120.004 ))
( attr rmsd < 0.16 and attr rmsd > 0.1 )
6 6 0 peak 10161 volume 25.22130 ppm1 9.411 ppm2 0.130
assi (( attr rmsd < 8.424 and attr rmsd > 8.364 )
and bondedto( attr rmsd < 118.868 and attr rmsd > 118.268 ))
( attr rmsd < 2.376 and attr rmsd > 2.316 )
6 6 0 peak 10171 volume 324.04150 ppm1 8.394 ppm2 2.346
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 8.963 and attr rmsd > 8.903 )
6 6 0 peak 10191 volume 12.13360 ppm1 7.670 ppm2 8.933
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 8.781 and attr rmsd > 8.721 )
6 6 0 peak 10201 volume 13.90730 ppm1 7.670 ppm2 8.751
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 6.293 and attr rmsd > 6.233 )
6 6 0 peak 10211 volume 13.32800 ppm1 7.670 ppm2 6.263
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 2.991 and attr rmsd > 2.931 )
6 6 0 peak 10221 volume 29.90950 ppm1 7.670 ppm2 2.961
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 3.244 and attr rmsd > 3.184 )
6 6 0 peak 10231 volume 17.20970 ppm1 7.670 ppm2 3.214
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 1.799 and attr rmsd > 1.739 )
6 6 0 peak 10241 volume 29.57580 ppm1 7.670 ppm2 1.769
assi (( attr rmsd < 7.7 and attr rmsd > 7.64 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 1.984 and attr rmsd > 1.924 )
6 6 0 peak 10251 volume 32.46850 ppm1 7.670 ppm2 1.954
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 118 and attr rmsd > 117.4 ))
( attr rmsd < 4.739 and attr rmsd > 4.679 )
6 6 0 peak 10261 volume 17.19220 ppm1 7.001 ppm2 4.709
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 118 and attr rmsd > 117.4 ))
( attr rmsd < 5.553 and attr rmsd > 5.493 )
6 6 0 peak 10271 volume 16.39850 ppm1 7.001 ppm2 5.523
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 118 and attr rmsd > 117.4 ))
( attr rmsd < 6.03 and attr rmsd > 5.97 )
6 6 0 peak 10281 volume 14.55400 ppm1 7.001 ppm2 6.000
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 118 and attr rmsd > 117.4 ))
( attr rmsd < 3.216 and attr rmsd > 3.156 )
6 6 0 peak 10291 volume 26.35690 ppm1 7.001 ppm2 3.186
assi (( attr rmsd < 7.031 and attr rmsd > 6.971 )
and bondedto( attr rmsd < 118 and attr rmsd > 117.4 ))
( attr rmsd < 0.909 and attr rmsd > 0.849 )
6 6 0 peak 10301 volume 22.07500 ppm1 7.001 ppm2 0.879
assi (( attr rmsd < 7.832 and attr rmsd > 7.772 )
and bondedto( attr rmsd < 127.547 and attr rmsd > 126.947 ))
( attr rmsd < 2.422 and attr rmsd > 2.362 )
6 6 0 peak 10311 volume 48.60910 ppm1 7.802 ppm2 2.392
assi (( attr rmsd < 7.433 and attr rmsd > 7.373 )
and bondedto( attr rmsd < 121.125 and attr rmsd > 120.525 ))
( attr rmsd < 1.492 and attr rmsd > 1.432 )
6 6 0 peak 10321 volume 21.77270 ppm1 7.403 ppm2 1.462
assi (( attr rmsd < 8.179 and attr rmsd > 8.119 )
and bondedto( attr rmsd < 122.34 and attr rmsd > 121.74 ))
( attr rmsd < 0.667 and attr rmsd > 0.607 )
6 6 0 peak 10331 volume 6.27000 ppm1 8.149 ppm2 0.637
assi (( attr rmsd < 9.181 and attr rmsd > 9.121 )
and bondedto( attr rmsd < 112.445 and attr rmsd > 111.845 ))
( attr rmsd < 8.331 and attr rmsd > 8.271 )
6 6 0 peak 10351 volume 9.18200 ppm1 9.151 ppm2 8.301
assi (( attr rmsd < 9.181 and attr rmsd > 9.121 )
and bondedto( attr rmsd < 112.445 and attr rmsd > 111.845 ))
( attr rmsd < 7.255 and attr rmsd > 7.195 )
6 6 0 peak 10361 volume 5.17410 ppm1 9.151 ppm2 7.225
assi (( attr rmsd < 9.531 and attr rmsd > 9.471 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 0.459 and attr rmsd > 0.399 )
6 6 0 peak 10371 volume 18.11690 ppm1 9.501 ppm2 0.429
assi (( attr rmsd < 9.531 and attr rmsd > 9.471 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 2.509 and attr rmsd > 2.449 )
6 6 0 peak 10381 volume 8.01490 ppm1 9.501 ppm2 2.479
assi (( attr rmsd < 9.531 and attr rmsd > 9.471 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 2.739 and attr rmsd > 2.679 )
6 6 0 peak 10391 volume 6.31900 ppm1 9.501 ppm2 2.709
assi (( attr rmsd < 9.531 and attr rmsd > 9.471 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 3.829 and attr rmsd > 3.769 )
6 6 0 peak 10401 volume 8.30310 ppm1 9.501 ppm2 3.799
assi (( attr rmsd < 7.856 and attr rmsd > 7.796 )
and bondedto( attr rmsd < 117.653 and attr rmsd > 117.053 ))
( attr rmsd < 5.433 and attr rmsd > 5.373 )
6 6 0 peak 10411 volume 33.94750 ppm1 7.826 ppm2 5.403
assi (( attr rmsd < 8.79 and attr rmsd > 8.73 )
and bondedto( attr rmsd < 119.91 and attr rmsd > 119.31 ))
( attr rmsd < 7.271 and attr rmsd > 7.211 )
6 6 0 peak 10451 volume 26.67180 ppm1 8.760 ppm2 7.241
assi (( attr rmsd < 8.79 and attr rmsd > 8.73 )
and bondedto( attr rmsd < 119.91 and attr rmsd > 119.31 ))
( attr rmsd < 2.71 and attr rmsd > 2.65 )
6 6 0 peak 10461 volume 12.85430 ppm1 8.760 ppm2 2.680
assi (( attr rmsd < 8.79 and attr rmsd > 8.73 )
and bondedto( attr rmsd < 119.91 and attr rmsd > 119.31 ))
( attr rmsd < 0.574 and attr rmsd > 0.514 )
6 6 0 peak 10481 volume 21.32410 ppm1 8.760 ppm2 0.544
assi (( attr rmsd < 8.79 and attr rmsd > 8.73 )
and bondedto( attr rmsd < 119.91 and attr rmsd > 119.31 ))
( attr rmsd < -0.285 and attr rmsd > -0.345 )
6 6 0 peak 10491 volume 24.32860 ppm1 8.760 ppm2 -0.315
assi (( attr rmsd < 9.278 and attr rmsd > 9.218 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 7.02 and attr rmsd > 6.96 )
6 6 0 peak 10501 volume 8.50490 ppm1 9.248 ppm2 6.990
assi (( attr rmsd < 9.278 and attr rmsd > 9.218 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 8.032 and attr rmsd > 7.972 )
6 6 0 peak 10511 volume 15.57090 ppm1 9.248 ppm2 8.002
assi (( attr rmsd < 9.278 and attr rmsd > 9.218 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 8.308 and attr rmsd > 8.248 )
6 6 0 peak 10521 volume 7.87220 ppm1 9.248 ppm2 8.278
assi (( attr rmsd < 9.278 and attr rmsd > 9.218 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 8.766 and attr rmsd > 8.706 )
6 6 0 peak 10531 volume 7.39660 ppm1 9.248 ppm2 8.736
assi (( attr rmsd < 9.278 and attr rmsd > 9.218 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 2.708 and attr rmsd > 2.648 )
6 6 0 peak 10541 volume 8.26560 ppm1 9.248 ppm2 2.678
assi (( attr rmsd < 9.278 and attr rmsd > 9.218 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 2.007 and attr rmsd > 1.947 )
6 6 0 peak 10551 volume 23.93730 ppm1 9.248 ppm2 1.977
assi (( attr rmsd < 9.278 and attr rmsd > 9.218 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 1.171 and attr rmsd > 1.111 )
6 6 0 peak 10561 volume 47.24480 ppm1 9.248 ppm2 1.141
assi (( attr rmsd < 9.278 and attr rmsd > 9.218 )
and bondedto( attr rmsd < 128.415 and attr rmsd > 127.815 ))
( attr rmsd < 0.587 and attr rmsd > 0.527 )
6 6 0 peak 10571 volume 42.75990 ppm1 9.248 ppm2 0.557
assi (( attr rmsd < 8.575 and attr rmsd > 8.515 )
and bondedto( attr rmsd < 128.068 and attr rmsd > 127.468 ))
( attr rmsd < 5.834 and attr rmsd > 5.774 )
6 6 0 peak 10581 volume 6.65960 ppm1 8.545 ppm2 5.804
assi (( attr rmsd < 8.575 and attr rmsd > 8.515 )
and bondedto( attr rmsd < 128.068 and attr rmsd > 127.468 ))
( attr rmsd < 3.234 and attr rmsd > 3.174 )
6 6 0 peak 10591 volume 8.66670 ppm1 8.545 ppm2 3.204
assi (( attr rmsd < 8.575 and attr rmsd > 8.515 )
and bondedto( attr rmsd < 128.068 and attr rmsd > 127.468 ))
( attr rmsd < 3.461 and attr rmsd > 3.401 )
6 6 0 peak 10601 volume 16.41360 ppm1 8.545 ppm2 3.431
assi (( attr rmsd < 8.575 and attr rmsd > 8.515 )
and bondedto( attr rmsd < 128.068 and attr rmsd > 127.468 ))
( attr rmsd < 2.486 and attr rmsd > 2.426 )
6 6 0 peak 10611 volume 12.42200 ppm1 8.545 ppm2 2.456
assi (( attr rmsd < 8.802 and attr rmsd > 8.742 )
and bondedto( attr rmsd < 125.638 and attr rmsd > 125.038 ))
( attr rmsd < 9.273 and attr rmsd > 9.213 )
6 6 0 peak 10621 volume 14.04630 ppm1 8.772 ppm2 9.243
assi (( attr rmsd < 8.019 and attr rmsd > 7.959 )
and bondedto( attr rmsd < 121.993 and attr rmsd > 121.393 ))
( attr rmsd < 9.672 and attr rmsd > 9.612 )
6 6 0 peak 10631 volume 12.13400 ppm1 7.989 ppm2 9.642
assi (( attr rmsd < 8.019 and attr rmsd > 7.959 )
and bondedto( attr rmsd < 121.993 and attr rmsd > 121.393 ))
( attr rmsd < 10.367 and attr rmsd > 10.307 )
6 6 0 peak 10641 volume 12.45740 ppm1 7.989 ppm2 10.337
assi (( attr rmsd < 8.019 and attr rmsd > 7.959 )
and bondedto( attr rmsd < 121.993 and attr rmsd > 121.393 ))
( attr rmsd < 3.152 and attr rmsd > 3.092 )
6 6 0 peak 10651 volume 16.64660 ppm1 7.989 ppm2 3.122
assi (( attr rmsd < 8.019 and attr rmsd > 7.959 )
and bondedto( attr rmsd < 121.993 and attr rmsd > 121.393 ))
( attr rmsd < 1.676 and attr rmsd > 1.616 )
6 6 0 peak 10661 volume 79.45820 ppm1 7.989 ppm2 1.646
assi (( attr rmsd < 8.937 and attr rmsd > 8.877 )
and bondedto( attr rmsd < 113.487 and attr rmsd > 112.887 ))
( attr rmsd < -0.373 and attr rmsd > -0.433 )
6 6 0 peak 10671 volume 13.06560 ppm1 8.907 ppm2 -0.403
assi (( attr rmsd < 6.797 and attr rmsd > 6.737 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < 3.76 and attr rmsd > 3.7 )
6 6 0 peak 10681 volume 20.30470 ppm1 6.767 ppm2 3.730
assi (( attr rmsd < 6.797 and attr rmsd > 6.737 )
and bondedto( attr rmsd < 117.306 and attr rmsd > 116.706 ))
( attr rmsd < -0.098 and attr rmsd > -0.158 )
6 6 0 peak 10691 volume 18.68410 ppm1 6.767 ppm2 -0.128
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 3.006 and attr rmsd > 2.946 )
6 6 0 peak 10701 volume 7.24070 ppm1 8.623 ppm2 2.976
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 126.853 and attr rmsd > 126.253 ))
( attr rmsd < 9.253 and attr rmsd > 9.193 )
6 6 0 peak 10711 volume 18.73900 ppm1 8.623 ppm2 9.223
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 126.853 and attr rmsd > 126.253 ))
( attr rmsd < 7.03 and attr rmsd > 6.97 )
6 6 0 peak 10721 volume 10.28010 ppm1 8.623 ppm2 7.000
assi (( attr rmsd < 8.653 and attr rmsd > 8.593 )
and bondedto( attr rmsd < 126.853 and attr rmsd > 126.253 ))
( attr rmsd < 7.958 and attr rmsd > 7.898 )
6 6 0 peak 10731 volume 8.39520 ppm1 8.623 ppm2 7.928
assi (( attr rmsd < 8.418 and attr rmsd > 8.358 )
and bondedto( attr rmsd < 112.966 and attr rmsd > 112.366 ))
( attr rmsd < 1.804 and attr rmsd > 1.744 )
6 6 0 peak 10741 volume 11.77880 ppm1 8.388 ppm2 1.774
assi (( attr rmsd < 8.418 and attr rmsd > 8.358 )
and bondedto( attr rmsd < 112.966 and attr rmsd > 112.366 ))
( attr rmsd < 1.105 and attr rmsd > 1.045 )
6 6 0 peak 10751 volume 26.83930 ppm1 8.388 ppm2 1.075
assi (( attr rmsd < 8.418 and attr rmsd > 8.358 )
and bondedto( attr rmsd < 112.966 and attr rmsd > 112.366 ))
( attr rmsd < 2.216 and attr rmsd > 2.156 )
6 6 0 peak 10761 volume 11.01100 ppm1 8.388 ppm2 2.186
assi (( attr rmsd < 8.333 and attr rmsd > 8.273 )
and bondedto( attr rmsd < 123.381 and attr rmsd > 122.781 ))
( attr rmsd < -0.056 and attr rmsd > -0.116 )
6 6 0 peak 10791 volume 11.71230 ppm1 8.303 ppm2 -0.086
assi (( attr rmsd < 9.094 and attr rmsd > 9.034 )
and bondedto( attr rmsd < 116.785 and attr rmsd > 116.185 ))
( attr rmsd < 9.921 and attr rmsd > 9.861 )
6 6 0 peak 10801 volume 17.44500 ppm1 9.064 ppm2 9.891
assi (( attr rmsd < 9.094 and attr rmsd > 9.034 )
and bondedto( attr rmsd < 116.785 and attr rmsd > 116.185 ))
( attr rmsd < 8.257 and attr rmsd > 8.197 )
6 6 0 peak 10811 volume 4.99200 ppm1 9.064 ppm2 8.227
assi (( attr rmsd < 9.094 and attr rmsd > 9.034 )
and bondedto( attr rmsd < 116.785 and attr rmsd > 116.185 ))
( attr rmsd < 7.526 and attr rmsd > 7.466 )
6 6 0 peak 10821 volume 14.19590 ppm1 9.064 ppm2 7.496
assi (( attr rmsd < 9.094 and attr rmsd > 9.034 )
and bondedto( attr rmsd < 116.785 and attr rmsd > 116.185 ))
( attr rmsd < 2.571 and attr rmsd > 2.511 )
6 6 0 peak 10831 volume 21.65050 ppm1 9.064 ppm2 2.541
assi (( attr rmsd < 9.094 and attr rmsd > 9.034 )
and bondedto( attr rmsd < 116.785 and attr rmsd > 116.185 ))
( attr rmsd < 0.453 and attr rmsd > 0.393 )
6 6 0 peak 10841 volume 61.99900 ppm1 9.064 ppm2 0.423
assi (( attr rmsd < 8.779 and attr rmsd > 8.719 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 4.009 and attr rmsd > 3.949 )
6 6 0 peak 10861 volume 8.07150 ppm1 8.749 ppm2 3.979
assi (( attr rmsd < 8.351 and attr rmsd > 8.291 )
and bondedto( attr rmsd < 121.819 and attr rmsd > 121.219 ))
( attr rmsd < -0.217 and attr rmsd > -0.277 )
6 6 0 peak 10881 volume 20.43080 ppm1 8.321 ppm2 -0.247
assi (( attr rmsd < 9.04 and attr rmsd > 8.98 )
and bondedto( attr rmsd < 115.57 and attr rmsd > 114.97 ))
( attr rmsd < 0.351 and attr rmsd > 0.291 )
6 6 0 peak 10901 volume 16.78210 ppm1 9.010 ppm2 0.321
assi (( attr rmsd < 8.457 and attr rmsd > 8.397 )
and bondedto( attr rmsd < 122.513 and attr rmsd > 121.913 ))
( attr rmsd < 4.105 and attr rmsd > 4.045 )
6 6 0 peak 10921 volume 11.59780 ppm1 8.427 ppm2 4.075
assi (( attr rmsd < 8.457 and attr rmsd > 8.397 )
and bondedto( attr rmsd < 122.513 and attr rmsd > 121.913 ))
( attr rmsd < 1.534 and attr rmsd > 1.474 )
6 6 0 peak 10931 volume 15.78250 ppm1 8.427 ppm2 1.504
assi (( attr rmsd < 8.053 and attr rmsd > 7.993 )
and bondedto( attr rmsd < 118.521 and attr rmsd > 117.921 ))
( attr rmsd < 8.965 and attr rmsd > 8.905 )
6 6 0 peak 10941 volume 8.03860 ppm1 8.023 ppm2 8.935
assi (( attr rmsd < 9.309 and attr rmsd > 9.249 )
and bondedto( attr rmsd < 108.627 and attr rmsd > 108.027 ))
( attr rmsd < 6.417 and attr rmsd > 6.357 )
6 6 0 peak 10951 volume 18.29100 ppm1 9.279 ppm2 6.387
assi (( attr rmsd < 9.309 and attr rmsd > 9.249 )
and bondedto( attr rmsd < 108.627 and attr rmsd > 108.027 ))
( attr rmsd < 7.262 and attr rmsd > 7.202 )
6 6 0 peak 10961 volume 22.64040 ppm1 9.279 ppm2 7.232
assi (( attr rmsd < 8.61 and attr rmsd > 8.55 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < 2.022 and attr rmsd > 1.962 )
6 6 0 peak 10981 volume 54.26890 ppm1 8.580 ppm2 1.992
assi (( attr rmsd < 8.61 and attr rmsd > 8.55 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < -0.281 and attr rmsd > -0.341 )
6 6 0 peak 11021 volume 8.95670 ppm1 8.580 ppm2 -0.311
assi (( attr rmsd < 8.61 and attr rmsd > 8.55 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.26 ))
( attr rmsd < -0.046 and attr rmsd > -0.106 )
6 6 0 peak 11031 volume 8.54090 ppm1 8.580 ppm2 -0.076
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 5.651 and attr rmsd > 5.591 )
6 6 0 peak 11041 volume 6.02840 ppm1 8.353 ppm2 5.621
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 2.31 and attr rmsd > 2.25 )
6 6 0 peak 11061 volume 63.79140 ppm1 8.353 ppm2 2.280
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 2.103 and attr rmsd > 2.043 )
6 6 0 peak 11071 volume 49.26450 ppm1 8.353 ppm2 2.073
assi (( attr rmsd < 8.383 and attr rmsd > 8.323 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < -0.179 and attr rmsd > -0.239 )
6 6 0 peak 11081 volume 11.84710 ppm1 8.353 ppm2 -0.209
assi (( attr rmsd < 8.955 and attr rmsd > 8.895 )
and bondedto( attr rmsd < 122.687 and attr rmsd > 122.087 ))
( attr rmsd < 8.003 and attr rmsd > 7.943 )
6 6 0 peak 11101 volume 18.59620 ppm1 8.925 ppm2 7.973
assi (( attr rmsd < 9.246 and attr rmsd > 9.186 )
and bondedto( attr rmsd < 125.464 and attr rmsd > 124.864 ))
( attr rmsd < 1.788 and attr rmsd > 1.728 )
6 6 0 peak 11121 volume 34.81530 ppm1 9.216 ppm2 1.758
assi (( attr rmsd < 9.246 and attr rmsd > 9.186 )
and bondedto( attr rmsd < 125.464 and attr rmsd > 124.864 ))
( attr rmsd < -0.238 and attr rmsd > -0.298 )
6 6 0 peak 11131 volume 13.15860 ppm1 9.216 ppm2 -0.268
assi (( attr rmsd < 9.246 and attr rmsd > 9.186 )
and bondedto( attr rmsd < 125.464 and attr rmsd > 124.864 ))
( attr rmsd < -0.072 and attr rmsd > -0.132 )
6 6 0 peak 11141 volume 10.47140 ppm1 9.216 ppm2 -0.102
assi (( attr rmsd < 8.677 and attr rmsd > 8.617 )
and bondedto( attr rmsd < 123.208 and attr rmsd > 122.608 ))
( attr rmsd < 1.918 and attr rmsd > 1.858 )
6 6 0 peak 11151 volume 43.63960 ppm1 8.647 ppm2 1.888
assi (( attr rmsd < 6.496 and attr rmsd > 6.436 )
and bondedto( attr rmsd < 111.23 and attr rmsd > 110.63 ))
( attr rmsd < 3.699 and attr rmsd > 3.639 )
6 6 0 peak 11161 volume 49.29990 ppm1 6.466 ppm2 3.669
assi (( attr rmsd < 6.496 and attr rmsd > 6.436 )
and bondedto( attr rmsd < 111.23 and attr rmsd > 110.63 ))
( attr rmsd < 5.768 and attr rmsd > 5.708 )
6 6 0 peak 11171 volume 7.63170 ppm1 6.466 ppm2 5.738
assi (( attr rmsd < 6.496 and attr rmsd > 6.436 )
and bondedto( attr rmsd < 111.23 and attr rmsd > 110.63 ))
( attr rmsd < 0.917 and attr rmsd > 0.857 )
6 6 0 peak 11181 volume 83.67730 ppm1 6.466 ppm2 0.887
assi (( attr rmsd < 8.148 and attr rmsd > 8.088 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 7.716 and attr rmsd > 7.656 )
6 6 0 peak 11201 volume 21.51030 ppm1 8.118 ppm2 7.686
assi (( attr rmsd < 8.148 and attr rmsd > 8.088 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 3.074 and attr rmsd > 3.014 )
6 6 0 peak 11211 volume 6.56030 ppm1 8.118 ppm2 3.044
assi (( attr rmsd < 8.147 and attr rmsd > 8.087 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 0.225 and attr rmsd > 0.165 )
6 6 0 peak 11221 volume 18.92960 ppm1 8.117 ppm2 0.195
assi (( attr rmsd < 9.059 and attr rmsd > 8.999 )
and bondedto( attr rmsd < 117.826 and attr rmsd > 117.226 ))
( attr rmsd < 9.644 and attr rmsd > 9.584 )
6 6 0 peak 11231 volume 12.19570 ppm1 9.029 ppm2 9.614
assi (( attr rmsd < 9.059 and attr rmsd > 8.999 )
and bondedto( attr rmsd < 117.826 and attr rmsd > 117.226 ))
( attr rmsd < 3.46 and attr rmsd > 3.4 )
6 6 0 peak 11241 volume 9.76600 ppm1 9.029 ppm2 3.430
assi (( attr rmsd < 9.059 and attr rmsd > 8.999 )
and bondedto( attr rmsd < 117.826 and attr rmsd > 117.226 ))
( attr rmsd < 2.734 and attr rmsd > 2.674 )
6 6 0 peak 11251 volume 17.22160 ppm1 9.029 ppm2 2.704
assi (( attr rmsd < 9.059 and attr rmsd > 8.999 )
and bondedto( attr rmsd < 117.826 and attr rmsd > 117.226 ))
( attr rmsd < 1.463 and attr rmsd > 1.403 )
6 6 0 peak 11271 volume 9.79640 ppm1 9.029 ppm2 1.433
assi (( attr rmsd < 9.059 and attr rmsd > 8.999 )
and bondedto( attr rmsd < 117.826 and attr rmsd > 117.226 ))
( attr rmsd < 0.851 and attr rmsd > 0.791 )
6 6 0 peak 11281 volume 22.73600 ppm1 9.029 ppm2 0.821
assi (( attr rmsd < 9.059 and attr rmsd > 8.999 )
and bondedto( attr rmsd < 117.826 and attr rmsd > 117.226 ))
( attr rmsd < 1.692 and attr rmsd > 1.632 )
6 6 0 peak 11291 volume 7.09860 ppm1 9.029 ppm2 1.662
assi (( attr rmsd < 9.678 and attr rmsd > 9.618 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < 3.555 and attr rmsd > 3.495 )
6 6 0 peak 11301 volume 7.39850 ppm1 9.648 ppm2 3.525
assi (( attr rmsd < 9.678 and attr rmsd > 9.618 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < 2.848 and attr rmsd > 2.788 )
6 6 0 peak 11311 volume 10.56110 ppm1 9.648 ppm2 2.818
assi (( attr rmsd < 9.678 and attr rmsd > 9.618 )
and bondedto( attr rmsd < 125.811 and attr rmsd > 125.211 ))
( attr rmsd < 1.943 and attr rmsd > 1.883 )
6 6 0 peak 11321 volume 39.64800 ppm1 9.648 ppm2 1.913
assi (( attr rmsd < 8.703 and attr rmsd > 8.643 )
and bondedto( attr rmsd < 124.423 and attr rmsd > 123.823 ))
( attr rmsd < 3.352 and attr rmsd > 3.292 )
6 6 0 peak 11331 volume 36.00830 ppm1 8.673 ppm2 3.322
assi (( attr rmsd < 9.254 and attr rmsd > 9.194 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 9.059 and attr rmsd > 8.999 )
6 6 0 peak 11341 volume 43.75340 ppm1 9.224 ppm2 9.029
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 4.51 and attr rmsd > 4.45 )
6 6 0 peak 11351 volume 39.46390 ppm1 7.687 ppm2 4.480
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 3.017 and attr rmsd > 2.957 )
6 6 0 peak 11361 volume 19.56640 ppm1 7.687 ppm2 2.987
assi (( attr rmsd < 7.717 and attr rmsd > 7.657 )
and bondedto( attr rmsd < 115.223 and attr rmsd > 114.623 ))
( attr rmsd < 3.231 and attr rmsd > 3.171 )
6 6 0 peak 11371 volume 21.52330 ppm1 7.687 ppm2 3.201
assi (( attr rmsd < 9.449 and attr rmsd > 9.389 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 1.949 and attr rmsd > 1.889 )
6 6 0 peak 11381 volume 14.65440 ppm1 9.419 ppm2 1.919
assi (( attr rmsd < 9.449 and attr rmsd > 9.389 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 2.27 and attr rmsd > 2.21 )
6 6 0 peak 11391 volume 7.65700 ppm1 9.419 ppm2 2.240
assi (( attr rmsd < 9.477 and attr rmsd > 9.417 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 8.191 and attr rmsd > 8.131 )
6 6 0 peak 11401 volume 38.96010 ppm1 9.447 ppm2 8.161
assi (( attr rmsd < 9.477 and attr rmsd > 9.417 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 6.869 and attr rmsd > 6.809 )
6 6 0 peak 11411 volume 23.82680 ppm1 9.447 ppm2 6.839
assi (( attr rmsd < 9.477 and attr rmsd > 9.417 )
and bondedto( attr rmsd < 121.472 and attr rmsd > 120.872 ))
( attr rmsd < 7.452 and attr rmsd > 7.392 )
6 6 0 peak 11421 volume 12.81730 ppm1 9.447 ppm2 7.422
assi (( attr rmsd < 8.546 and attr rmsd > 8.486 )
and bondedto( attr rmsd < 120.43 and attr rmsd > 119.83 ))
( attr rmsd < 0.78 and attr rmsd > 0.72 )
6 6 0 peak 11441 volume 43.81960 ppm1 8.516 ppm2 0.750
assi (( attr rmsd < 9.745 and attr rmsd > 9.685 )
and bondedto( attr rmsd < 126.679 and attr rmsd > 126.079 ))
( attr rmsd < 7.819 and attr rmsd > 7.759 )
6 6 0 peak 11451 volume 7.83010 ppm1 9.715 ppm2 7.789
assi (( attr rmsd < 8.73 and attr rmsd > 8.67 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 2.062 and attr rmsd > 2.002 )
6 6 0 peak 11461 volume 9.81930 ppm1 8.700 ppm2 2.032
assi (( attr rmsd < 8.73 and attr rmsd > 8.67 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 1.26 and attr rmsd > 1.2 )
6 6 0 peak 11471 volume 30.81470 ppm1 8.700 ppm2 1.230
assi (( attr rmsd < 8.73 and attr rmsd > 8.67 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 0.653 and attr rmsd > 0.593 )
6 6 0 peak 11481 volume 19.12200 ppm1 8.700 ppm2 0.623
assi (( attr rmsd < 8.166 and attr rmsd > 8.106 )
and bondedto( attr rmsd < 116.264 and attr rmsd > 115.664 ))
( attr rmsd < 2.374 and attr rmsd > 2.314 )
6 6 0 peak 11491 volume 23.31840 ppm1 8.136 ppm2 2.344
assi (( attr rmsd < 9.111 and attr rmsd > 9.051 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 6.371 and attr rmsd > 6.311 )
6 6 0 peak 11501 volume 16.27980 ppm1 9.081 ppm2 6.341
assi (( attr rmsd < 9.111 and attr rmsd > 9.051 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 7.214 and attr rmsd > 7.154 )
6 6 0 peak 11511 volume 12.02250 ppm1 9.081 ppm2 7.184
assi (( attr rmsd < 9.111 and attr rmsd > 9.051 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 3.132 and attr rmsd > 3.072 )
6 6 0 peak 11521 volume 42.82190 ppm1 9.081 ppm2 3.102
assi (( attr rmsd < 9.111 and attr rmsd > 9.051 )
and bondedto( attr rmsd < 124.943 and attr rmsd > 124.343 ))
( attr rmsd < 3.554 and attr rmsd > 3.494 )
6 6 0 peak 11531 volume 11.05280 ppm1 9.081 ppm2 3.524
assi (( attr rmsd < 8.253 and attr rmsd > 8.193 )
and bondedto( attr rmsd < 116.091 and attr rmsd > 115.491 ))
( attr rmsd < 10.18 and attr rmsd > 10.12 )
6 6 0 peak 11541 volume 7.68120 ppm1 8.223 ppm2 10.150
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 0.887 and attr rmsd > 0.827 )
6 6 0 peak 11551 volume 76.31110 ppm1 8.334 ppm2 0.857
assi (( attr rmsd < 8.364 and attr rmsd > 8.304 )
and bondedto( attr rmsd < 119.562 and attr rmsd > 118.962 ))
( attr rmsd < 3.651 and attr rmsd > 3.591 )
6 6 0 peak 11561 volume 39.27720 ppm1 8.334 ppm2 3.621
assi (( attr rmsd < 7.4 and attr rmsd > 7.34 )
and bondedto( attr rmsd < 121.298 and attr rmsd > 120.698 ))
( attr rmsd < 6.827 and attr rmsd > 6.767 )
6 6 0 peak 11571 volume 18.97870 ppm1 7.370 ppm2 6.797
assi (( attr rmsd < 8.52 and attr rmsd > 8.46 )
and bondedto( attr rmsd < 115.917 and attr rmsd > 115.317 ))
( attr rmsd < 4.853 and attr rmsd > 4.793 )
6 6 0 peak 11581 volume 59.31470 ppm1 8.490 ppm2 4.823
Contact the webmaster for help, if required. Wednesday, April 24, 2024 11:38:41 PM GMT (wattos1)