0 mol 15 unq 0 iso 0 dist 6.16274 5.46344 8.85174 10.1589 6.67334 9.51568 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.46842 16.8735 9.48085 19.9296 12.1492 8.53931 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.88829 4.35522 7.26268 11.4863 6.68431 8.74576 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.43515 3.96994 5.94756 9.56447 7.39653 5.81001 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 7.09258 7.54321 6.21799 10.2171 6.11922 9.14817 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 7.09258 5.2819 5.03251 10.2171 6.11922 9.76686 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 7.09258 3.53164 7.66093 10.2171 6.11922 9.437 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.79714 9.4173 8.13108 15.5744 10.963 9.4866 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.79714 9.4173 8.13108 6.89859 7.18506 9.40363 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.40871 10.8182 6.85523 11.4506 4.92509 5.47706 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.40871 3.48199 5.77326 11.4506 4.92509 8.07568 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 9.48388 4.54306 7.78931 7.00373 11.2452 4.44979 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 9.48388 10.9661 8.7497 7.00373 11.2452 6.61111 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 8.98848 10.1153 8.84018 12.7737 4.91401 9.94053 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 7.85025 13.4842 8.77023 8.91353 9.53782 8.55349 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 7.31419 6.4405 5.35237 12.9061 8.96357 6.57379 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 7.31419 3.64555 8.70621 8.72056 10.9715 6.44575 numMergedOcc 0
17 mol 144 unq 0 iso 0 dist 9.73668 8.35821 7.64028 9.54955 10.4074 9.09684 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 7.54454 3.75201 6.73504 9.03971 6.47974 7.59939 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 7.18765 4.26432 9.10817 9.47487 5.2908 9.27218 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 7.41091 4.26432 6.86828 9.47487 6.23998 9.27218 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.33638 10.2403 7.46481 15.258 6.67959 8.70987 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 9.30186 6.38826 8.1945 14.7336 10.7506 8.91356 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 9.30186 6.38826 8.1945 8.23463 7.12954 9.59574 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 4.94074 7.83075 8.51625 11.259 8.96098 6.01775 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 7.17987 12.4759 7.81215 5.99388 5.56749 9.11572 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 7.17987 12.4759 7.81215 15.9147 15.015 9.49229 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 7.17987 12.4759 7.81215 12.7447 12.1076 7.20293 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.09166 17.7087 9.08509 12.9754 5.17471 5.43613 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 9.09166 17.7087 9.08509 13.7959 5.03393 7.06768 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.89728 13.7396 5.85442 9.19369 5.79468 6.23661 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 7.29148 14.9639 9.9182 16.5375 9.98079 9.08193 numMergedOcc 0
32 mol 292 unq 1 iso 0 dist 7.29148 14.9639 9.9182 23.6788 18.0293 8.73515 numMergedOcc 0
33 mol 292 unq 2 iso 0 dist 8.54692 9.76733 9.46442 13.0711 12.1551 5.84792 numMergedOcc 0
34 mol 292 unq 3 iso 0 dist 8.54692 9.47804 7.30758 13.4639 5.07048 9.08193 numMergedOcc 0
35 mol 292 unq 4 iso 0 dist 8.54692 9.47804 7.30758 13.0711 12.1551 8.73515 numMergedOcc 0
