0 mol 25 unq 0 iso 0 dist 6.00307 10.3928 7.17969 7.95074 7.57578 4.33106 9.59327 5.59268 8.88413 10.5993 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 13.1868 5.69671 9.65047 12.5791 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 13.1868 5.69671 9.65047 13.9545 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 8.21127 6.75472 5.02717 12.5189 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 5.22628 6.8104 6.11741 10.0419 9.33865 8.02349 7.99121 6.59772 4.98864 12.6493 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 5.22628 6.8104 6.11741 10.0419 9.33865 8.02349 6.30982 4.86477 7.95871 13.7044 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.09965 11.3174 9.30299 8.45411 8.14887 7.30196 15.4787 8.60326 9.42513 10.0998 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.00798 5.57978 8.54584 6.05033 8.53613 4.61027 14.6058 14.5776 9.28278 12.3446 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.94909 8.76089 7.11802 6.80087 8.00618 8.18495 5.7232 5.37072 9.50322 5.82404 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 8.76089 7.11802 8.18495 5.7232 5.37072 5.82404 9.50322 numMergedOcc 0
10 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 5.44278 6.56247 5.88703 13.1219 12.0816 7.86368 12.3151 numMergedOcc 0
11 mol 236 unq 0 iso 0 dist 5.99137 13.3575 7.68742 13.7629 9.81562 5.79505 14.592 11.247 9.89665 11.3361 numMergedOcc 0
12 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 5.03598 6.27581 11.3368 14.592 11.247 9.89665 14.0991 numMergedOcc 0
13 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 13.7629 9.81562 9.90963 4.43243 4.15973 5.66569 12.3675 numMergedOcc 0
14 mol 236 unq 3 iso 0 dist 5.99137 5.03598 6.27581 13.7629 9.81562 9.90963 5.92025 9.01197 6.11137 14.8917 numMergedOcc 0
15 mol 236 unq 4 iso 0 dist 5.99137 5.03598 6.27581 13.3575 7.68742 11.3368 4.43243 4.15973 5.66569 11.0771 numMergedOcc 0
16 mol 236 unq 5 iso 0 dist 5.99137 5.03598 6.27581 13.3575 7.68742 11.3368 5.92025 9.01197 6.11137 15.2525 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.99187 5.74685 6.22714 5.87189 7.31233 5.34096 15.0135 12.2428 9.66555 11.6545 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 5.99187 5.74685 6.22714 5.87189 7.31233 5.34096 13.0521 8.66185 8.67205 11.1363 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 5.48552 8.53687 10.582 8.93002 6.64729 8.06771 12.3391 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 6.08432 7.84554 4.86771 8.93002 9.79538 8.06771 12.3795 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 10.3156 7.46176 6.96053 8.93002 9.79538 8.06771 11.1503 numMergedOcc 0
22 mol 259 unq 3 iso 0 dist 6.20344 5.56656 7.88519 9.55719 9.18903 10.4881 8.93002 9.79538 8.06771 17.0226 numMergedOcc 0
23 mol 259 unq 4 iso 0 dist 6.20344 10.3156 7.46176 5.56656 7.88519 6.96053 18.2527 15.3806 9.54857 14.0139 numMergedOcc 0
24 mol 259 unq 5 iso 0 dist 6.20344 10.3156 7.46176 6.08432 7.84554 7.64658 18.2527 15.3806 9.54857 16.6234 numMergedOcc 0
25 mol 259 unq 6 iso 0 dist 6.20344 10.3156 7.46176 9.55719 9.18903 10.5239 18.2527 15.3806 9.54857 20.0172 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 9.45818 10.6944 9.14619 13.2478 8.45658 7.00201 12.0331 4.49913 8.65236 9.73983 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 9.45818 13.2478 8.45658 10.6944 9.14619 7.00201 12.0331 4.49913 9.73983 8.65236 numMergedOcc 0
