NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
623482 5odf 34157 cing 1-original 9 unknown unknown


%FLAG RESIDUE_POINTER                                                           
%FORMAT(10I8)                                                                   
       1      29      62      94     126     159     191     223     253     285
     317     347     381     409     442     474     506     539     571     603
     633     665     697     727     761     921     922     923     924     925
     926     927     928     929     930     931     932     933     934     935
     936     937     938     939     940     941     942     945     948     951
     954     957     960     963     966     969     972     975     978     981
     984     987     990     993     996     999    1002    1005    1008    1011
    1014    1017    1020    1023    1026    1029    1032    1035    1038    1041
    1044    1047    1050    1053    1056    1059    1062    1065    1068    1071
    1074    1077    1080    1083    1086    1089    1092    1095    1098    1101
    1104    1107    1110    1113    1116    1119    1122    1125    1128    1131
    1134    1137    1140    1143    1146    1149    1152    1155    1158    1161
    1164    1167    1170    1173    1176    1179    1182    1185    1188    1191
    1194    1197    1200    1203    1206    1209    1212    1215    1218    1221
    1224    1227    1230    1233    1236    1239    1242    1245    1248    1251
    1254    1257    1260    1263    1266    1269    1272    1275    1278    1281
    1284    1287    1290    1293    1296    1299    1302    1305    1308    1311
    1314    1317    1320    1323    1326    1329    1332    1335    1338    1341
    1344    1347    1350    1353    1356    1359    1362    1365    1368    1371
    1374    1377    1380    1383    1386    1389    1392    1395    1398    1401
    1404    1407    1410    1413    1416    1419    1422    1425    1428    1431
    1434    1437    1440    1443    1446    1449    1452    1455    1458    1461
    1464    1467    1470    1473    1476    1479    1482    1485    1488    1491
    1494    1497    1500    1503    1506    1509    1512    1515    1518    1521
    1524    1527    1530    1533    1536    1539    1542    1545    1548    1551
    1554    1557    1560    1563    1566    1569    1572    1575    1578    1581
    1584    1587    1590    1593    1596    1599    1602    1605    1608    1611
    1614    1617    1620    1623    1626    1629    1632    1635    1638    1641
    1644    1647    1650    1653    1656    1659    1662    1665    1668    1671
    1674    1677    1680    1683    1686    1689    1692    1695    1698    1701
    1704    1707    1710    1713    1716    1719    1722    1725    1728    1731
    1734    1737    1740    1743    1746    1749    1752    1755    1758    1761
    1764    1767    1770    1773    1776    1779    1782    1785    1788    1791
    1794    1797    1800    1803    1806    1809    1812    1815    1818    1821
    1824    1827    1830    1833    1836    1839    1842    1845    1848    1851
    1854    1857    1860    1863    1866    1869    1872    1875    1878    1881
    1884    1887    1890    1893    1896    1899    1902    1905    1908    1911
    1914    1917    1920    1923    1926    1929    1932    1935    1938    1941
    1944    1947    1950    1953    1956    1959    1962    1965    1968    1971
    1974    1977    1980    1983    1986    1989    1992    1995    1998    2001
    2004    2007    2010    2013    2016    2019    2022    2025    2028    2031
    2034    2037    2040    2043    2046    2049    2052    2055    2058    2061
    2064    2067    2070    2073    2076    2079    2082    2085    2088    2091
    2094    2097    2100    2103    2106    2109    2112    2115    2118    2121
    2124    2127    2130    2133    2136    2139    2142    2145    2148    2151
    2154    2157    2160    2163    2166    2169    2172    2175    2178    2181
    2184    2187    2190    2193    2196    2199    2202    2205    2208    2211
    2214    2217    2220    2223    2226    2229    2232    2235    2238    2241
    2244    2247    2250    2253    2256    2259    2262    2265    2268    2271
    2274    2277    2280    2283    2286    2289    2292    2295    2298    2301
    2304    2307    2310    2313    2316    2319    2322    2325    2328    2331
    2334    2337    2340    2343    2346    2349    2352    2355    2358    2361
    2364    2367    2370    2373    2376    2379    2382    2385    2388    2391
    2394    2397    2400    2403    2406    2409    2412    2415    2418    2421
    2424    2427    2430    2433    2436    2439    2442    2445    2448    2451
    2454    2457    2460    2463    2466    2469    2472    2475    2478    2481
    2484    2487    2490    2493    2496    2499    2502    2505    2508    2511
    2514    2517    2520    2523    2526    2529    2532    2535    2538    2541
    2544    2547    2550    2553    2556    2559    2562    2565    2568    2571
    2574    2577    2580    2583    2586    2589    2592    2595    2598    2601
    2604    2607    2610    2613    2616    2619    2622    2625    2628    2631
    2634    2637    2640    2643    2646    2649    2652    2655    2658    2661
    2664    2667    2670    2673    2676    2679    2682    2685    2688    2691
    2694    2697    2700    2703    2706    2709    2712    2715    2718    2721
    2724    2727    2730    2733    2736    2739    2742    2745    2748    2751
    2754    2757    2760    2763    2766    2769    2772    2775    2778    2781
    2784    2787    2790    2793    2796    2799    2802    2805    2808    2811
    2814    2817    2820    2823    2826    2829    2832    2835    2838    2841
    2844    2847    2850    2853    2856    2859    2862    2865    2868    2871
    2874    2877    2880    2883    2886    2889    2892    2895    2898    2901
    2904    2907    2910    2913    2916    2919    2922    2925    2928    2931
    2934    2937    2940    2943    2946    2949    2952    2955    2958    2961
    2964    2967    2970    2973    2976    2979    2982    2985    2988    2991
    2994    2997    3000    3003    3006    3009    3012    3015    3018    3021
    3024    3027    3030    3033    3036    3039    3042    3045    3048    3051
    3054    3057    3060    3063    3066    3069    3072    3075    3078    3081
    3084    3087    3090    3093    3096    3099    3102    3105    3108    3111
    3114    3117    3120    3123    3126    3129    3132    3135    3138    3141
    3144    3147    3150    3153    3156    3159    3162    3165    3168    3171
    3174    3177    3180    3183    3186    3189    3192    3195    3198    3201
    3204    3207    3210    3213    3216    3219    3222    3225    3228    3231
    3234    3237    3240    3243    3246    3249    3252    3255    3258    3261
    3264    3267    3270    3273    3276    3279    3282    3285    3288    3291
    3294    3297    3300    3303    3306    3309    3312    3315    3318    3321
    3324    3327    3330    3333    3336    3339    3342    3345    3348    3351
    3354    3357    3360    3363    3366    3369    3372    3375    3378    3381
    3384    3387    3390    3393    3396    3399    3402    3405    3408    3411
    3414    3417    3420    3423    3426    3429    3432    3435    3438    3441
    3444    3447    3450    3453    3456    3459    3462    3465    3468    3471
    3474    3477    3480    3483    3486    3489    3492    3495    3498    3501
    3504    3507    3510    3513    3516    3519    3522    3525    3528    3531
    3534    3537    3540    3543    3546    3549    3552    3555    3558    3561
    3564    3567    3570    3573    3576    3579    3582    3585    3588    3591
    3594    3597    3600    3603    3606    3609    3612    3615    3618    3621
    3624    3627    3630    3633    3636    3639    3642    3645    3648    3651
    3654    3657    3660    3663    3666    3669    3672    3675    3678    3681
    3684    3687    3690    3693    3696    3699    3702    3705    3708    3711
    3714    3717    3720    3723    3726    3729    3732    3735    3738    3741
    3744    3747    3750    3753    3756    3759    3762    3765    3768    3771
    3774    3777    3780    3783    3786    3789    3792    3795    3798    3801
    3804    3807    3810    3813    3816    3819    3822    3825    3828    3831
    3834    3837    3840    3843    3846    3849    3852    3855    3858    3861
    3864    3867    3870    3873    3876    3879    3882    3885    3888    3891
    3894    3897    3900    3903    3906    3909    3912    3915    3918    3921
    3924    3927    3930    3933    3936    3939    3942    3945    3948    3951
    3954    3957    3960    3963    3966    3969    3972    3975    3978    3981
    3984    3987    3990    3993    3996    3999    4002    4005    4008    4011
    4014    4017    4020    4023    4026    4029    4032    4035    4038    4041
    4044    4047    4050    4053    4056    4059    4062    4065    4068    4071
    4074    4077    4080    4083    4086    4089    4092    4095    4098    4101
    4104    4107    4110    4113    4116    4119    4122    4125    4128    4131
    4134    4137    4140    4143    4146    4149    4152    4155    4158    4161
    4164    4167    4170    4173    4176    4179    4182    4185    4188    4191
    4194    4197    4200    4203    4206    4209    4212    4215    4218    4221
    4224    4227    4230    4233    4236    4239    4242    4245    4248    4251
    4254    4257    4260    4263    4266    4269    4272    4275    4278    4281
    4284    4287    4290    4293    4296    4299    4302    4305    4308    4311
    4314    4317    4320    4323    4326    4329    4332    4335    4338    4341
    4344    4347    4350    4353    4356    4359    4362    4365    4368    4371
    4374    4377    4380    4383    4386    4389    4392    4395    4398    4401
    4404    4407    4410    4413    4416    4419    4422    4425    4428    4431
    4434    4437    4440    4443    4446    4449    4452    4455    4458    4461
    4464    4467    4470    4473    4476    4479    4482    4485    4488    4491
    4494    4497    4500    4503    4506    4509    4512    4515    4518    4521
    4524    4527    4530    4533    4536    4539    4542    4545    4548    4551
    4554    4557    4560    4563    4566    4569    4572    4575    4578    4581
    4584    4587    4590    4593    4596    4599    4602    4605    4608    4611
    4614    4617    4620    4623    4626    4629    4632    4635    4638    4641
    4644    4647    4650    4653    4656    4659    4662    4665    4668    4671
    4674    4677    4680    4683    4686    4689    4692    4695    4698    4701
    4704    4707    4710    4713    4716    4719    4722    4725    4728    4731
    4734    4737    4740    4743    4746    4749    4752    4755    4758    4761
    4764    4767    4770    4773    4776    4779    4782    4785    4788    4791
    4794    4797    4800    4803    4806    4809    4812    4815    4818    4821
    4824    4827    4830    4833    4836    4839    4842    4845    4848    4851
    4854    4857    4860    4863    4866    4869    4872    4875    4878    4881
    4884    4887    4890    4893    4896    4899    4902    4905    4908    4911
    4914    4917    4920    4923    4926    4929    4932    4935    4938    4941
    4944    4947    4950    4953    4956    4959    4962    4965    4968    4971
    4974    4977    4980    4983    4986    4989    4992    4995    4998    5001
    5004    5007    5010    5013    5016    5019    5022    5025    5028    5031
    5034    5037    5040    5043    5046    5049    5052    5055    5058    5061
    5064    5067    5070    5073    5076    5079    5082    5085    5088    5091
    5094    5097    5100    5103    5106    5109    5112    5115    5118    5121
    5124    5127    5130    5133    5136    5139    5142    5145    5148    5151
    5154    5157    5160    5163    5166    5169    5172    5175    5178    5181
    5184    5187    5190    5193    5196    5199    5202    5205    5208    5211
    5214    5217    5220    5223    5226    5229    5232    5235    5238    5241
    5244    5247    5250    5253    5256    5259    5262    5265    5268    5271
    5274    5277    5280    5283    5286    5289    5292    5295    5298    5301
    5304    5307    5310    5313    5316    5319    5322    5325    5328    5331
    5334    5337    5340    5343    5346    5349    5352    5355    5358    5361
    5364    5367    5370    5373    5376    5379    5382    5385    5388    5391
    5394    5397    5400    5403    5406    5409    5412    5415    5418    5421
    5424    5427    5430    5433    5436    5439    5442    5445    5448    5451
    5454    5457    5460    5463    5466    5469    5472    5475    5478    5481
    5484    5487    5490    5493    5496    5499    5502    5505    5508    5511
    5514    5517    5520    5523    5526    5529    5532    5535    5538    5541
    5544    5547    5550    5553    5556    5559    5562    5565    5568    5571
    5574    5577    5580    5583    5586    5589    5592    5595    5598    5601
    5604    5607    5610    5613    5616    5619    5622    5625    5628    5631
    5634    5637    5640    5643    5646    5649    5652    5655    5658    5661
    5664    5667    5670    5673    5676    5679    5682    5685    5688    5691
    5694    5697    5700    5703    5706    5709    5712    5715    5718    5721
    5724    5727    5730    5733    5736    5739    5742    5745    5748    5751
    5754    5757    5760    5763    5766    5769    5772    5775    5778    5781
    5784    5787    5790    5793    5796    5799    5802    5805    5808    5811
    5814    5817    5820    5823    5826    5829    5832    5835    5838    5841
    5844    5847    5850    5853    5856    5859    5862    5865    5868    5871
    5874    5877    5880    5883    5886    5889    5892    5895    5898    5901
    5904    5907    5910    5913    5916    5919    5922    5925    5928    5931
    5934    5937    5940    5943    5946    5949    5952    5955    5958    5961
    5964    5967    5970    5973    5976    5979    5982    5985    5988    5991
    5994    5997    6000    6003    6006    6009    6012    6015    6018    6021
    6024    6027    6030    6033    6036    6039    6042    6045    6048    6051
    6054    6057    6060    6063    6066    6069    6072    6075    6078    6081
    6084    6087    6090    6093    6096    6099    6102    6105    6108    6111
    6114    6117    6120    6123    6126    6129    6132    6135    6138    6141
    6144    6147    6150    6153    6156    6159    6162    6165    6168    6171
    6174    6177    6180    6183    6186    6189    6192    6195    6198    6201
    6204    6207    6210    6213    6216    6219    6222    6225    6228    6231
    6234    6237    6240    6243    6246    6249    6252    6255    6258    6261
    6264    6267    6270    6273    6276    6279    6282    6285    6288    6291
    6294    6297    6300    6303    6306    6309    6312    6315    6318    6321
    6324    6327    6330    6333    6336    6339    6342    6345    6348    6351
    6354    6357    6360    6363    6366    6369    6372    6375    6378    6381
    6384    6387    6390    6393    6396    6399    6402    6405    6408    6411
    6414    6417    6420    6423    6426    6429    6432    6435    6438    6441
    6444    6447    6450    6453    6456    6459    6462    6465    6468    6471
    6474    6477    6480    6483    6486    6489    6492    6495    6498    6501
    6504    6507    6510    6513    6516    6519    6522    6525    6528    6531
    6534    6537    6540    6543    6546    6549    6552    6555    6558    6561
    6564    6567    6570    6573    6576    6579    6582    6585    6588    6591
    6594    6597    6600    6603    6606    6609    6612    6615    6618    6621
    6624    6627    6630    6633    6636    6639    6642    6645    6648    6651
    6654    6657    6660    6663    6666    6669    6672    6675    6678    6681
    6684    6687    6690    6693    6696    6699    6702    6705    6708    6711
    6714    6717    6720    6723    6726    6729    6732    6735    6738    6741
    6744    6747    6750    6753    6756    6759    6762    6765    6768    6771
    6774    6777    6780    6783    6786    6789    6792    6795    6798    6801
    6804    6807    6810    6813    6816    6819    6822    6825    6828    6831
    6834    6837    6840    6843    6846    6849    6852    6855    6858    6861
    6864    6867    6870    6873    6876    6879    6882    6885    6888    6891
    6894    6897    6900    6903    6906    6909    6912    6915    6918    6921
    6924    6927    6930    6933    6936    6939    6942    6945    6948    6951
    6954    6957    6960    6963    6966    6969    6972    6975    6978    6981
    6984    6987    6990    6993    6996    6999    7002    7005    7008    7011
    7014    7017    7020    7023    7026    7029    7032    7035    7038    7041
    7044    7047    7050    7053    7056    7059    7062    7065    7068    7071
    7074    7077    7080    7083    7086    7089    7092    7095    7098    7101
    7104    7107    7110    7113    7116    7119    7122    7125    7128    7131
    7134    7137    7140    7143    7146    7149    7152    7155    7158    7161
    7164    7167    7170    7173    7176    7179    7182    7185    7188    7191
    7194    7197    7200    7203    7206    7209    7212    7215    7218    7221
    7224    7227    7230    7233    7236    7239    7242    7245    7248    7251
    7254    7257    7260    7263    7266    7269    7272    7275    7278    7281
    7284    7287    7290    7293    7296    7299    7302    7305    7308    7311
    7314    7317    7320    7323    7326    7329    7332    7335    7338    7341
    7344    7347    7350    7353    7356    7359    7362    7365    7368    7371
    7374    7377    7380    7383    7386    7389    7392    7395    7398    7401
    7404    7407    7410    7413    7416    7419    7422    7425    7428    7431
    7434    7437    7440    7443    7446    7449    7452    7455    7458    7461
    7464    7467    7470    7473    7476    7479    7482    7485    7488    7491
    7494    7497    7500    7503    7506    7509    7512    7515    7518    7521
    7524    7527    7530    7533    7536    7539    7542    7545    7548    7551
    7554    7557    7560    7563    7566    7569    7572    7575    7578    7581
    7584    7587    7590    7593    7596    7599    7602    7605    7608    7611
    7614    7617    7620    7623    7626    7629    7632    7635    7638    7641
    7644    7647    7650    7653    7656    7659    7662    7665    7668    7671
    7674    7677    7680    7683    7686    7689    7692    7695    7698    7701
    7704    7707    7710    7713    7716    7719    7722    7725    7728    7731
    7734    7737    7740    7743    7746    7749    7752    7755    7758    7761
    7764    7767    7770    7773    7776    7779    7782    7785    7788    7791
    7794    7797    7800    7803    7806    7809    7812    7815    7818    7821
    7824    7827    7830    7833    7836    7839    7842    7845    7848    7851
    7854    7857    7860    7863    7866    7869    7872    7875    7878    7881
    7884    7887    7890    7893    7896    7899    7902    7905    7908    7911
    7914    7917    7920    7923    7926    7929    7932    7935    7938    7941
    7944    7947    7950    7953    7956    7959    7962    7965    7968    7971
    7974    7977    7980    7983    7986    7989    7992    7995    7998    8001
    8004    8007    8010    8013    8016    8019    8022    8025    8028    8031
    8034    8037    8040    8043    8046    8049    8052    8055    8058    8061
    8064    8067    8070    8073    8076    8079    8082    8085    8088    8091
    8094    8097    8100    8103    8106    8109    8112    8115    8118    8121
    8124    8127    8130    8133    8136    8139    8142    8145    8148    8151
    8154    8157    8160    8163    8166    8169    8172    8175    8178    8181
    8184    8187    8190    8193    8196    8199    8202    8205    8208    8211
    8214    8217    8220    8223    8226    8229    8232    8235    8238    8241
    8244    8247    8250    8253    8256    8259    8262    8265    8268    8271
    8274    8277    8280    8283    8286    8289    8292    8295    8298    8301
    8304    8307    8310    8313    8316    8319    8322    8325    8328    8331
    8334    8337    8340    8343    8346    8349    8352    8355    8358    8361
    8364    8367    8370    8373    8376    8379    8382    8385    8388    8391
    8394    8397    8400    8403    8406    8409    8412    8415    8418    8421
    8424    8427    8430    8433    8436    8439    8442    8445    8448    8451
    8454    8457    8460    8463    8466    8469    8472    8475    8478    8481
    8484    8487    8490    8493    8496    8499    8502    8505    8508    8511
    8514    8517    8520    8523    8526    8529    8532    8535    8538    8541
    8544    8547    8550    8553    8556    8559    8562    8565    8568    8571
    8574    8577    8580    8583    8586    8589    8592    8595    8598    8601
    8604    8607    8610    8613    8616    8619    8622    8625    8628    8631
    8634    8637    8640    8643    8646    8649    8652    8655    8658    8661
    8664    8667    8670    8673    8676    8679    8682    8685    8688    8691
    8694    8697    8700    8703    8706    8709    8712    8715    8718    8721
    8724    8727    8730    8733    8736    8739    8742    8745    8748    8751
    8754    8757    8760    8763    8766    8769    8772    8775    8778    8781
    8784    8787    8790    8793    8796    8799    8802    8805    8808    8811
    8814    8817    8820    8823    8826    8829    8832    8835    8838    8841
    8844    8847    8850    8853    8856    8859    8862    8865    8868    8871
    8874    8877    8880    8883    8886    8889    8892    8895    8898    8901
    8904    8907    8910    8913    8916    8919    8922    8925    8928    8931
    8934    8937    8940    8943    8946    8949    8952    8955    8958    8961
    8964    8967    8970    8973    8976    8979    8982    8985    8988    8991
    8994    8997    9000    9003    9006    9009    9012    9015    9018    9021
    9024    9027    9030    9033    9036    9039    9042    9045    9048    9051
    9054    9057    9060    9063    9066    9069    9072    9075    9078    9081
    9084    9087    9090    9093    9096    9099    9102    9105    9108    9111
    9114    9117    9120    9123    9126    9129    9132    9135    9138    9141
    9144    9147    9150    9153    9156    9159    9162    9165    9168    9171
    9174    9177    9180    9183    9186    9189    9192    9195    9198    9201
    9204    9207    9210    9213    9216    9219    9222    9225    9228    9231
    9234    9237    9240    9243    9246    9249    9252    9255    9258    9261
    9264    9267    9270    9273    9276    9279    9282    9285    9288    9291
    9294    9297    9300    9303    9306    9309    9312    9315    9318    9321
    9324    9327    9330    9333    9336    9339    9342    9345    9348    9351
    9354    9357    9360    9363    9366    9369    9372    9375    9378    9381
    9384    9387    9390    9393    9396    9399    9402    9405    9408    9411
    9414    9417    9420    9423    9426    9429    9432    9435    9438    9441
    9444    9447    9450    9453    9456    9459    9462    9465    9468    9471
    9474    9477    9480    9483    9486    9489    9492    9495    9498    9501
    9504    9507    9510    9513    9516    9519    9522    9525    9528    9531
    9534    9537    9540    9543    9546    9549    9552    9555    9558    9561
    9564    9567    9570    9573    9576    9579    9582    9585    9588    9591
    9594    9597    9600    9603    9606    9609    9612    9615    9618    9621
    9624    9627    9630    9633    9636    9639    9642    9645    9648    9651
    9654    9657    9660    9663    9666    9669    9672    9675    9678    9681
    9684    9687    9690    9693    9696    9699    9702    9705    9708    9711
    9714    9717    9720    9723    9726    9729    9732    9735    9738    9741
    9744    9747    9750    9753    9756    9759    9762    9765    9768    9771
    9774    9777    9780    9783    9786    9789    9792    9795    9798    9801
    9804    9807    9810    9813    9816    9819    9822    9825    9828    9831
    9834    9837    9840    9843    9846    9849    9852    9855    9858    9861
    9864    9867    9870    9873    9876    9879    9882    9885    9888    9891
    9894    9897    9900    9903    9906    9909    9912    9915    9918    9921
    9924    9927    9930    9933    9936    9939    9942    9945    9948    9951
    9954    9957    9960    9963    9966    9969    9972    9975    9978    9981
    9984    9987    9990    9993    9996    9999   10002   10005   10008   10011
   10014   10017   10020   10023   10026   10029   10032   10035   10038   10041
   10044   10047   10050   10053   10056   10059   10062   10065   10068   10071
   10074   10077   10080   10083   10086   10089   10092   10095   10098   10101
   10104   10107   10110   10113   10116   10119   10122   10125   10128   10131
   10134   10137   10140   10143   10146   10149   10152   10155   10158   10161
   10164   10167   10170   10173   10176   10179   10182   10185   10188   10191
   10194   10197   10200   10203   10206   10209   10212   10215   10218   10221
   10224   10227   10230   10233   10236   10239   10242   10245   10248   10251
   10254   10257   10260   10263   10266   10269   10272   10275   10278   10281
   10284   10287   10290   10293   10296   10299   10302   10305   10308   10311
   10314   10317   10320   10323   10326   10329   10332   10335   10338   10341
   10344   10347   10350   10353   10356   10359   10362   10365   10368   10371
   10374   10377   10380   10383   10386   10389   10392   10395   10398   10401
   10404   10407   10410   10413   10416   10419   10422   10425   10428   10431
   10434   10437   10440   10443   10446   10449   10452   10455   10458   10461
   10464   10467   10470   10473   10476   10479   10482   10485   10488   10491
   10494   10497   10500   10503   10506   10509   10512   10515   10518   10521
   10524   10527   10530   10533   10536   10539   10542   10545   10548   10551
   10554   10557   10560   10563   10566   10569   10572   10575   10578   10581
   10584   10587   10590   10593   10596   10599   10602   10605   10608   10611
   10614   10617   10620   10623   10626   10629   10632   10635   10638   10641
   10644   10647   10650   10653   10656   10659   10662   10665   10668   10671
   10674   10677   10680   10683   10686   10689   10692   10695   10698   10701
   10704   10707   10710   10713   10716   10719   10722   10725   10728   10731
   10734   10737   10740   10743   10746   10749   10752   10755   10758   10761
   10764   10767   10770   10773   10776   10779   10782   10785   10788   10791
   10794   10797   10800   10803   10806   10809   10812   10815   10818   10821
   10824   10827   10830   10833   10836   10839   10842   10845   10848   10851
   10854   10857   10860   10863   10866   10869   10872   10875   10878   10881
   10884   10887   10890   10893   10896   10899   10902   10905   10908   10911
   10914   10917   10920   10923   10926   10929   10932   10935   10938   10941
   10944   10947   10950   10953   10956   10959   10962   10965   10968   10971
   10974   10977   10980   10983   10986   10989   10992   10995   10998   11001
   11004   11007   11010   11013   11016   11019   11022   11025   11028   11031
   11034   11037   11040   11043   11046   11049   11052   11055   11058   11061
   11064   11067   11070   11073   11076   11079   11082   11085   11088   11091
   11094   11097   11100   11103   11106   11109   11112
%FLAG BOND_FORCE_CONSTANT                                                       
%FORMAT(5E16.8)                                                                 
  2.30000000E+02  3.40000000E+02  3.40000000E+02  3.10000000E+02  3.20000000E+02
  5.70000000E+02  4.57000000E+02  4.34000000E+02  4.81000000E+02  4.83000000E+02
  3.67000000E+02  4.27000000E+02  3.67000000E+02  5.49000000E+02  4.48000000E+02
  4.24000000E+02  3.40000000E+02  3.37000000E+02  3.10000000E+02  3.20000000E+02
  3.40000000E+02  3.40000000E+02  3.10000000E+02  3.20000000E+02  5.53000000E+02
  4.61000000E+02  4.34000000E+02  4.27000000E+02  4.18000000E+02  4.47000000E+02
  5.20000000E+02  4.14000000E+02  3.67000000E+02  5.29000000E+02  4.40000000E+02
  4.36000000E+02  3.20000000E+02  5.25000000E+02  3.67000000E+02  5.02000000E+02
  4.69000000E+02  3.67000000E+02  5.29000000E+02  4.40000000E+02  3.17000000E+02
  4.10000000E+02  3.67000000E+02  5.49000000E+02  4.48000000E+02  3.20000000E+02
  5.25400000E+02  3.51800000E+02  2.65800000E+02  3.30600000E+02  3.34800000E+02
  5.00900000E+02  4.41100000E+02  6.37700000E+02  3.13000000E+02  3.49100000E+02
  3.30600000E+02  3.00900000E+02  3.71000000E+02  3.52000000E+02  4.19800000E+02
  3.71000000E+02  4.25100000E+02  4.27600000E+02  4.03200000E+02  4.25800000E+02
  3.27700000E+02  3.28700000E+02  3.38700000E+02  2.83300000E+02  3.73200000E+02
  5.53000000E+02  5.53000000E+02
%FLAG BOND_EQUIL_VALUE                                                          
%FORMAT(5E16.8)                                                                 
  1.61000000E+00  1.09000000E+00  1.09000000E+00  1.52600000E+00  1.41000000E+00
  1.22900000E+00  1.35800000E+00  1.01000000E+00  1.34000000E+00  1.33900000E+00
  1.08000000E+00  1.43300000E+00  1.08000000E+00  1.35000000E+00  1.36500000E+00
  1.38300000E+00  1.09000000E+00  1.47500000E+00  1.52600000E+00  1.41000000E+00
  1.09000000E+00  1.09000000E+00  1.52600000E+00  1.41000000E+00  9.60000000E-01
  1.35400000E+00  1.01000000E+00  1.38100000E+00  1.38800000E+00  1.41900000E+00
  1.37000000E+00  1.39100000E+00  1.08000000E+00  1.30400000E+00  1.37100000E+00
  1.37400000E+00  1.41000000E+00  1.48000000E+00  1.08000000E+00  1.32400000E+00
  1.40400000E+00  1.08000000E+00  1.30400000E+00  1.37100000E+00  1.51000000E+00
  1.44400000E+00  1.08000000E+00  1.35000000E+00  1.36500000E+00  1.41000000E+00
  1.31720000E+00  1.08180000E+00  1.75620000E+00  1.09690000E+00  1.50150000E+00
  1.37290000E+00  1.36940000E+00  1.21830000E+00  1.52410000E+00  1.08370000E+00
  1.09690000E+00  1.53750000E+00  1.46760000E+00  1.08170000E+00  1.42780000E+00
  1.46760000E+00  1.38070000E+00  1.37890000E+00  1.01290000E+00  1.38020000E+00
  1.46290000E+00  1.46190000E+00  1.09100000E+00  1.51100000E+00  1.03040000E+00
  9.57200000E-01  1.51360000E+00
%FLAG ANGLE_FORCE_CONSTANT                                                      
%FORMAT(5E16.8)                                                                 
  1.00000000E+02  4.50000000E+01  3.50000000E+01  5.00000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  1.00000000E+02  8.00000000E+01  3.50000000E+01
  7.00000000E+01  5.00000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01
  7.00000000E+01  5.00000000E+01  7.00000000E+01  5.00000000E+01  6.30000000E+01
  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  8.00000000E+01
  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  4.00000000E+01
  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
  5.00000000E+01  5.00000000E+01  6.00000000E+01  4.00000000E+01  5.00000000E+01
  3.50000000E+01  5.00000000E+01  5.00000000E+01  4.00000000E+01  5.00000000E+01
  5.00000000E+01  5.50000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01
  7.00000000E+01  8.00000000E+01  6.30000000E+01  5.00000000E+01  7.00000000E+01
  8.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01
  5.00000000E+01  7.00000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01
  7.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01  5.00000000E+01
  5.00000000E+01  1.40000000E+02  1.00000000E+02  5.00000000E+01  7.00000000E+01
  7.00000000E+01  6.30000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01
  7.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  5.00000000E+01
  7.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01  5.00000000E+01
  8.00000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
  6.30000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  7.00000000E+01
  5.00000000E+01  5.00000000E+01  5.50000000E+01  3.92400000E+01  3.94000000E+01
  3.92200000E+01  5.05800000E+01  6.60500000E+01  4.18700000E+01  6.07500000E+01
  7.21700000E+01  4.71800000E+01  6.61500000E+01  6.47100000E+01  6.48500000E+01
  7.17600000E+01  4.83300000E+01  4.69300000E+01  4.63900000E+01  6.74000000E+01
  4.58000000E+01  4.63400000E+01  6.28600000E+01  6.50900000E+01  6.62200000E+01
  4.85400000E+01  6.18800000E+01  6.84800000E+01  6.81500000E+01  6.46800000E+01
  4.79200000E+01  4.72700000E+01  4.71500000E+01  6.50900000E+01  6.33900000E+01
  6.32700000E+01  6.89400000E+01  6.79600000E+01  6.90700000E+01  7.34300000E+01
  4.97900000E+01  4.98300000E+01  6.86950000E+01  6.90700000E+01  6.59100000E+01
  4.98400000E+01  6.67900000E+01  6.76200000E+01  6.93400000E+01  7.42200000E+01
  6.91400000E+01  7.49000000E+01  6.91400000E+01  4.58500000E+01  6.26200000E+01
  4.86500000E+01  6.41800000E+01  4.62000000E+01
%FLAG ANGLE_EQUIL_VALUE                                                         
%FORMAT(5E16.8)                                                                 
  1.88897066E+00  1.79070858E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  2.10312265E+00  2.13802925E+00  2.09439600E+00
  2.08217869E+00  2.09439600E+00  2.10312265E+00  2.15199189E+00  2.09614133E+00
  2.12057595E+00  2.08916001E+00  2.12232128E+00  2.08916001E+00  2.04203610E+00
  1.91113635E+00  2.07868803E+00  2.11533996E+00  2.06996138E+00  2.11010397E+00
  1.91113635E+00  1.91113635E+00  2.11533996E+00  2.05250808E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.91113635E+00
  1.91113635E+00  1.89368305E+00  1.95826026E+00  2.05948940E+00  2.02458280E+00
  2.15199189E+00  2.10486798E+00  2.08043336E+00  2.03854544E+00  2.18515316E+00
  2.24798504E+00  1.94255229E+00  2.22878641E+00  2.26892900E+00  1.92684432E+00
  2.14762857E+00  1.83957782E+00  1.81165254E+00  2.14762857E+00  1.98793087E+00
  1.85354046E+00  2.20260646E+00  2.24798504E+00  2.19562514E+00  1.91113635E+00
  1.91113635E+00  2.09265067E+00  2.10312265E+00  2.01498349E+00  1.93731630E+00
  2.25322103E+00  2.04727209E+00  2.06996138E+00  2.15548255E+00  2.04727209E+00
  2.31081692E+00  2.14762857E+00  1.83957782E+00  1.81165254E+00  2.14762857E+00
  1.98793087E+00  2.24798504E+00  2.20609712E+00  2.08916001E+00  1.91113635E+00
  2.18689849E+00  1.99142153E+00  2.08916001E+00  2.12232128E+00  2.08916001E+00
  2.10661331E+00  2.07868803E+00  2.11533996E+00  2.01411082E+00  2.11533996E+00
  1.91113635E+00  1.91113635E+00  1.89368305E+00  1.89298492E+00  1.87762601E+00
  1.91549968E+00  2.19073822E+00  1.99857738E+00  2.11219837E+00  2.12109955E+00
  1.94866095E+00  1.92841512E+00  1.57498579E+00  2.08479669E+00  1.94691562E+00
  1.84114862E+00  2.05163542E+00  1.89839544E+00  1.91218355E+00  2.15024656E+00
  2.05390434E+00  1.91637234E+00  1.94621748E+00  2.11795796E+00  2.15234096E+00
  2.12511381E+00  2.20714432E+00  1.91811767E+00  1.99299233E+00  2.15146829E+00
  2.08148056E+00  2.24239998E+00  2.11307103E+00  2.11795796E+00  2.10643878E+00
  1.93801443E+00  2.11760889E+00  2.09247614E+00  1.96698691E+00  1.86732857E+00
  2.10364625E+00  1.89856997E+00  1.98679641E+00  1.96698691E+00  1.94796281E+00
  1.90031530E+00  2.01027109E+00  2.12720820E+00  2.20313006E+00  2.14762857E+00
  2.16298747E+00  1.95860933E+00  2.16298747E+00  1.92178286E+00  1.91392888E+00
  1.88513093E+00  1.99334139E+00  1.92963685E+00
%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
%FORMAT(5E16.8)                                                                 
  1.85181000E-01  1.25653100E+00  3.54858000E-01  1.55555556E-01  1.07993300E+00
  3.19017000E-01  5.48360000E-02  3.83333333E-01  2.50000000E-01  3.21859000E-01
  5.44600000E-01  7.97144000E-01  0.00000000E+00  2.40000000E+00  4.80000000E+00
  4.00000000E+00  2.55000000E+00  1.85000000E+00  6.65000000E+00  1.45000000E+00
  1.00000000E-01  3.83300000E-01  1.20000000E+00  1.17500000E+00  1.44000000E-01
  1.03000000E+00  1.52000000E+00  2.60000000E-01  2.50000000E-01  0.00000000E+00
  6.50000000E-01  3.83000000E-01  1.20000000E+00  9.00000000E-01  1.60000000E-01
  1.17804000E+00  9.21020000E-02  9.62830000E-01  1.66666667E-01  1.50000000E+00
  3.00000000E+00  1.35000000E+00  5.45000000E+00  4.15000000E+00  1.70000000E+00
  1.00000000E+01  1.65000000E+00  8.10000000E-01  1.73000000E+00  4.40000000E-01
  6.80000000E+00  3.50000000E+00  9.10000000E-01  1.91000000E+00  4.10000000E-01
  2.17500000E+00  1.15000000E+00  3.80000000E-01  3.00000000E-01  9.90000000E-01
  1.67000000E+00  1.70000000E-01  1.50000000E-01  1.10000000E+00  4.75000000E+00
  2.50000000E+00  2.00000000E+00  8.00000000E-01  8.00000000E-02  5.30000000E-01
  1.50000000E-01  5.00000000E-01  0.00000000E+00  2.87500000E+00  7.00000000E-02
  1.00000000E-01  1.50000000E+00  1.05000000E+01  1.00000000E+00  1.10000000E+00
%FLAG DIHEDRAL_PERIODICITY                                                      
%FORMAT(5E16.8)                                                                 
  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  3.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  1.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00  3.00000000E+00
  2.00000000E+00  3.00000000E+00  1.00000000E+00  3.00000000E+00  3.00000000E+00
  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  2.00000000E+00  2.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00
  2.00000000E+00  1.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00
  2.00000000E+00  3.00000000E+00  3.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  1.00000000E+00  1.00000000E+00  3.00000000E+00  1.00000000E+00
  3.00000000E+00  4.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  4.00000000E+00  1.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
%FLAG DIHEDRAL_PHASE                                                            
%FORMAT(5E16.8)                                                                 
  5.54929070E-01  6.14285649E+00  6.23514744E+00  0.00000000E+00  5.19698240E+00
  3.50131437E+00  2.64638419E+00  0.00000000E+00  0.00000000E+00  1.15045137E+00
  9.53800156E-02  5.15662653E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  5.62711845E+00  0.00000000E+00  0.00000000E+00
  3.22536984E+00  1.36135740E-01  3.65821168E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  6.71079385E-01 -3.89208590E-02  0.00000000E+00
  3.33317067E+00  5.15976777E+00  6.07541257E+00  0.00000000E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  3.14159400E+00  1.52716375E+00  6.98132000E-02  3.83623534E+00
  3.14159400E+00  3.14159400E+00  2.09614133E+00  1.22173100E-02  3.93397382E+00
  3.14159400E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00  3.28122040E+00
  8.20305100E-02  3.68090097E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00
  3.14159400E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00
  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
%FLAG SCEE_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
  1.20000000E+00  1.20000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG SCNB_SCALE_FACTOR                                                         
%FORMAT(5E16.8)                                                                 
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
  2.00000000E+00  2.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG SOLTY                                                                     
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF                                                       
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  5.81803229E+05  0.00000000E+00  7.91544157E+05
  1.04308023E+06  0.00000000E+00  4.66922514E+04  6.78771368E+04  3.25969625E+03
  0.00000000E+00  4.58874091E+05  6.28541240E+05  3.63097246E+04  3.61397723E+05
  0.00000000E+00  3.15360051E+04  4.68930885E+04  2.09814978E+03  2.44050579E+04
  1.32801250E+03  0.00000000E+00  7.44975864E+05  9.95480466E+05  6.20665997E+04
  5.89818288E+05  4.24594555E+04  9.44293233E+05  0.00000000E+00  7.01803794E+05
  9.24822270E+05  6.01816484E+04  5.57281136E+05  4.15766412E+04  8.82619071E+05
  8.19971662E+05  0.00000000E+00  4.96707306E+04  7.18621074E+04  3.50301067E+03
  3.86654993E+04  2.26273716E+03  6.58473870E+04  6.37148278E+04  3.76169105E+03
  0.00000000E+00  6.00750218E+04  8.59947003E+04  4.33325458E+03  4.68711055E+04
  2.82099197E+03  7.91627154E+04  7.62451550E+04  4.64559155E+03  5.71629601E+03
  0.00000000E+00  1.40467023E+03  2.56678134E+03  5.94667300E+01  1.03954408E+03
  3.20009193E+01  2.12601181E+03  2.27577561E+03  6.63368273E+01  8.90987508E+01
  1.39982777E-01  0.00000000E+00  4.71003287E+05  6.47841731E+05  3.69471530E+04
  3.70622491E+05  2.47595516E+04  6.06829342E+05  5.74393458E+05  3.93690817E+04
  4.77908183E+04  1.02595236E+03  3.79876399E+05  0.00000000E+00  6.82786631E+04
  9.71708117E+04  4.98586848E+03  5.33379252E+04  3.25969625E+03  8.96776989E+04
  8.61541883E+04  5.34045360E+03  6.55825601E+03  1.07193646E+02  5.44261042E+04
  7.51607703E+03  0.00000000E+00  1.98683736E+06  2.54188684E+06  1.81087383E+05
  1.58759528E+06  1.27716552E+05  2.45746558E+06  2.25370349E+06  1.90880272E+05
  2.26202022E+05  8.41065839E+03  1.64263766E+06  2.54238516E+05  6.02589390E+06
  0.00000000E+00  4.09427581E+04  5.98885646E+04  2.82099197E+03  3.17965283E+04
  1.80748014E+03  5.46147253E+04  5.30987710E+04  3.03448006E+03  3.76169105E+03
  4.90239937E+01  3.23283631E+04  4.33325458E+03  1.60682053E+05  2.43828624E+03
  0.00000000E+00  1.61587928E+06  2.09861767E+06  1.42791446E+05  1.28707992E+06
  9.96589437E+04  2.01562190E+06  1.86068943E+06  1.50848032E+05  1.79647996E+05
  5.97860700E+03  1.32911052E+06  2.02461849E+05  5.04534981E+06  1.26338489E+05
  4.19430400E+06  0.00000000E+00  1.45985502E+04  2.27401052E+04  8.79040886E+02
  1.11851919E+04  5.37190941E+02  2.01791425E+04  2.01619733E+04  9.55000044E+02
  1.21014911E+03  9.14716912E+00  1.12780457E+04  1.41077189E+03  6.46047669E+04
  7.50063100E+02  4.93469320E+04  2.01823541E+02  0.00000000E+00  1.02772745E+05
  1.49995867E+05  7.11465296E+03  7.98522793E+04  4.56604314E+03  1.36919347E+05
  1.32990267E+05  7.65043029E+03  9.47658423E+03  1.25820601E+02  8.12116828E+04
  1.09119307E+04  4.01624254E+05  6.15221292E+03  3.16107989E+05  1.90132449E+03
  1.55205818E+04  0.00000000E+00  5.82511344E+05  7.85890042E+05  4.75728872E+04
  4.60252016E+05  3.23234673E+04  7.42364908E+05  6.96790708E+05  5.05435913E+04
  6.09592309E+04  1.52094041E+03  4.72934643E+05  6.91773368E+04  1.95739541E+06
  4.17832254E+04  1.59822324E+06  1.51483906E+04  1.04820861E+05  5.81935564E+05
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
%FLAG LENNARD_JONES_BCOEF                                                       
%FORMAT(5E16.8)                                                                 
  0.00000000E+00  0.00000000E+00  6.99746810E+02  0.00000000E+00  6.93079947E+02
  6.75612247E+02  0.00000000E+00  1.03606917E+02  1.06076943E+02  1.43076527E+01
  0.00000000E+00  5.89183300E+02  5.85549272E+02  8.66220817E+01  4.95732238E+02
  0.00000000E+00  8.51470647E+01  8.81685417E+01  1.14788417E+01  7.10161395E+01
  9.13231543E+00  0.00000000E+00  7.50714425E+02  7.36907417E+02  1.13252061E+02
  6.33305958E+02  9.36708259E+01  8.01323529E+02  0.00000000E+00  6.14502845E+02
  5.99015525E+02  9.40505980E+01  5.19163331E+02  7.81725398E+01  6.53361429E+02
  5.31102864E+02  0.00000000E+00  1.05648788E+02  1.07908863E+02  1.46638650E+01
  8.83744760E+01  1.17854122E+01  1.15327881E+02  9.56748258E+01  1.50233639E+01
  0.00000000E+00  1.16187983E+02  1.18043746E+02  1.63092814E+01  9.73010751E+01
  1.31591746E+01  1.26451907E+02  1.04660679E+02  1.66953734E+01  1.85196588E+01
  0.00000000E+00  1.79702257E+01  2.06278363E+01  1.93248820E+00  1.46567808E+01
  1.41762397E+00  2.09604198E+01  1.82891803E+01  2.01792524E+00  2.33864085E+00
  9.37598976E-02  0.00000000E+00  6.29300710E+02  6.26720080E+02  9.21192136E+01
  5.29252520E+02  7.54103785E+01  6.77220874E+02  5.55666448E+02  9.40124296E+01
  1.03580945E+02  1.53505284E+01  5.64885984E+02  0.00000000E+00  1.25287818E+02
  1.26919150E+02  1.76949863E+01  1.04986921E+02  1.43076527E+01  1.36131731E+02
  1.12529845E+02  1.81057616E+01  2.00642027E+01  2.59456373E+00  1.11805549E+02
  2.17257828E+01  0.00000000E+00  1.27682121E+03  1.22636552E+03  2.01468199E+02
  1.08210555E+03  1.69194406E+02  1.34630496E+03  1.08732781E+03  2.04498832E+02
  2.22617115E+02  4.34187588E+01  1.16041466E+03  2.38716853E+02  2.19561270E+03
  0.00000000E+00  9.59185913E+01  9.85097219E+01  1.31591746E+01  8.01410250E+01
  1.05333009E+01  1.05031585E+02  8.73413012E+01  1.34932874E+01  1.50233639E+01
  1.73473071E+00  8.51921330E+01  1.63092814E+01  1.87626421E+02  1.20953369E+01
  0.00000000E+00  1.21753341E+03  1.17824605E+03  1.89165096E+02  1.03022002E+03
  1.58033097E+02  1.28923404E+03  1.04466382E+03  1.92224012E+02  2.09772716E+02
  3.87070358E+01  1.10369829E+03  2.25248294E+02  2.12431120E+03  1.75916126E+02
  2.04800000E+03  0.00000000E+00  5.79323581E+01  6.13981767E+01  7.42992380E+00
  4.80771660E+01  5.80823477E+00  6.45756063E+01  5.44372326E+01  7.65648470E+00
  8.61880722E+00  7.57919667E-01  5.08951803E+01  9.41257003E+00  1.20335756E+02
  6.78541827E+00  1.11203892E+02  3.56012899E+00  0.00000000E+00  2.36133213E+02
  2.42242668E+02  3.24719551E+01  1.97338832E+02  2.60136673E+01  2.58405233E+02
  2.14778698E+02  3.32906603E+01  3.70514656E+01  4.31824675E+00  2.09807371E+02
  4.02144725E+01  4.60918488E+02  2.98534933E+01  4.32373832E+02  1.67864823E+01
  7.36779156E+01  0.00000000E+00  6.45512297E+02  6.36687196E+02  9.64152120E+01
  5.44002597E+02  7.94739459E+01  6.90894667E+02  5.64503554E+02  9.82532117E+01
  1.07902982E+02  1.72393904E+01  5.81361517E+02  1.16264660E+02  1.16838958E+03
  8.93335697E+01  1.11633519E+03  5.44062826E+01  2.19857570E+02  5.94825035E+02
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00


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