0 mol 5 unq 0 iso 0 dist 8.70824 5.2392 11.3755 8.54255 12.3464 9.13355 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.93404 5.2392 5.90479 8.54255 12.5515 9.13355 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.70655 5.2392 4.59167 8.54255 6.99733 9.13355 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.44869 7.61923 14.1388 11.0602 18.1726 5.87258 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 9.17447 5.11941 4.6365 6.3575 8.47518 5.87258 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 8.18251 7.57749 6.28248 7.35107 8.32948 6.03151 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 5.02642 7.57749 3.66253 7.35107 7.43338 6.03151 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.14072 5.41774 4.55422 8.12928 10.1097 8.63743 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.41861 6.63973 6.1999 15.1383 10.9974 9.78762 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 5.55798 8.59739 5.71097 12.7438 10.9396 6.63733 numMergedOcc 0
10 mol 81 unq 0 iso 0 dist 8.9672 5.73799 3.82386 6.32585 11.2345 7.81965 numMergedOcc 0
11 mol 81 unq 1 iso 0 dist 9.80754 5.73799 11.4429 6.32585 16.0046 7.81965 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 5.16531 6.53559 9.54936 8.56696 10.6541 8.46972 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 6.65878 8.09774 6.31483 9.22336 10.9673 8.46972 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 5.74058 5.82945 6.5713 5.76927 6.21554 9.58844 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 9.22494 7.25009 12.7495 11.1511 19.1311 8.14405 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 6.66555 7.85801 6.90307 13.518 12.0932 8.28942 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 5.47586 8.69512 10.4922 7.43264 8.27071 7.84418 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.47586 8.69512 10.4922 12.1402 12.381 6.92823 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 6.60429 8.69512 15.2328 7.43264 12.4746 7.84418 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 6.60429 8.69512 15.2328 12.1402 18.0267 6.92823 numMergedOcc 0
21 mol 212 unq 0 iso 0 dist 8.09185 5.03184 7.52135 9.60101 7.98724 8.43638 numMergedOcc 0
22 mol 212 unq 1 iso 0 dist 8.09185 5.03184 7.52135 9.48834 14.3533 7.06117 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 4.87053 8.86886 6.4817 6.45821 5.17916 7.61739 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 5.83514 6.96382 4.70535 5.12308 7.75366 5.41453 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 4.53228 7.96523 7.26668 4.53635 7.10828 6.0567 numMergedOcc 0
26 mol 247 unq 0 iso 0 dist 9.21409 9.01651 3.42642 8.53302 8.64941 5.52484 numMergedOcc 0
27 mol 247 unq 1 iso 0 dist 9.17812 8.83903 3.42642 9.26852 8.64941 5.52484 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 9.54363 7.27503 5.10825 6.67281 12.5707 8.01717 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 5.90728 8.4275 5.55396 7.50871 6.93798 8.39635 numMergedOcc 0
