0 mol 7 unq 0 iso 0 dist 8.41585 9.87885 12.8323 10.2446 7.88043 8.15894 10.5461 12.2041 7.12508 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 6.1206 7.12508 5.44992 5.72491 8.15894 12.2333 12.2041 12.8323 7.88043 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 6.1206 7.12508 4.74523 9.67579 8.45544 12.2333 12.2041 12.8323 8.80762 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 6.58998 10.7114 8.24948 8.86116 10.0952 5.11636 6.72502 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 5.73819 6.66407 5.07458 5.64171 8.60739 7.24352 10.5523 8.13395 10.8828 9.93832 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.80331 6.6263 5.41726 7.05402 10.0649 7.15901 10.5523 5.06502 4.96926 8.44903 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 6.20293 6.75943 5.41726 5.48048 10.0649 7.15901 5.73819 5.06502 4.96926 8.44903 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 8.93915 6.75943 10.0383 5.48048 13.5072 7.15901 5.73819 5.89973 4.96926 8.44903 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.4099 9.08221 8.55984 6.37648 12.5444 6.87028 6.64012 6.47414 4.00553 7.27383 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 8.56707 6.43433 4.99604 12.603 5.0812 10.9279 9.92283 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.87172 6.99446 6.20019 4.99056 13.1741 9.57341 10.3704 12.4603 9.68677 7.77116 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 6.18601 8.95212 4.39676 13.52 12.6868 9.57341 16.4353 12.8594 9.68677 7.77116 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.94367 9.33094 7.41373 9.4027 8.20836 5.11043 11.7385 5.62899 4.46337 7.36779 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.37586 9.33094 10.8635 9.4027 10.873 5.11043 11.7385 10.7144 4.46337 7.36779 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 6.37586 9.33094 10.8635 9.4027 10.873 5.11043 8.94367 5.49782 7.41373 8.20836 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 6.49416 9.33094 12.3479 9.4027 13.846 5.11043 11.7385 12.8168 4.46337 7.36779 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 6.49416 9.33094 12.3479 9.4027 13.846 5.11043 8.94367 8.80819 7.41373 8.20836 numMergedOcc 0
17 mol 134 unq 5 iso 0 dist 9.86662 9.1998 12.8086 5.12325 8.20836 6.99345 11.3835 5.62899 10.092 7.36779 numMergedOcc 0
18 mol 134 unq 6 iso 0 dist 9.86662 8.69531 7.41373 5.12325 8.20836 5.11043 11.3835 5.62899 4.46337 7.36779 numMergedOcc 0
19 mol 134 unq 7 iso 0 dist 9.71307 9.1998 15.0225 5.12325 10.873 6.99345 11.3835 10.7144 10.092 7.36779 numMergedOcc 0
20 mol 134 unq 8 iso 0 dist 9.71307 9.1998 15.0225 5.12325 10.873 6.99345 9.86662 5.49782 12.8086 8.20836 numMergedOcc 0
21 mol 134 unq 9 iso 0 dist 9.71307 8.69531 10.8635 5.12325 10.873 5.11043 11.3835 10.7144 4.46337 7.36779 numMergedOcc 0
22 mol 134 unq 10 iso 0 dist 9.71307 8.69531 10.8635 5.12325 10.873 5.11043 9.86662 5.49782 7.41373 8.20836 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 8.56324 6.59889 5.39112 7.2238 10.4911 7.1069 10.399 5.42328 4.94983 8.35555 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 6.70283 6.70693 5.39112 5.59336 10.4911 7.1069 5.87555 5.42328 4.94983 8.35555 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 8.67331 6.70693 9.67475 5.59336 13.0858 7.1069 5.87555 5.54906 4.94983 8.35555 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 6.00706 6.74196 8.84507 6.42798 7.862 7.97027 12.6531 10.5806 9.01393 9.2581 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 6.00706 6.74196 8.84507 6.42798 7.862 7.97027 11.8674 6.9154 13.3586 9.62632 numMergedOcc 0
28 mol 222 unq 2 iso 0 dist 6.00706 8.36842 6.02502 6.42798 7.862 4.9876 12.6531 10.5806 5.64455 9.2581 numMergedOcc 0
29 mol 222 unq 3 iso 0 dist 6.00706 8.36842 6.02502 6.42798 7.862 4.9876 11.8674 6.9154 5.9478 9.62632 numMergedOcc 0
30 mol 222 unq 4 iso 0 dist 7.54212 6.74196 12.8595 6.42798 12.5287 7.97027 12.6531 17.2569 9.01393 9.2581 numMergedOcc 0
31 mol 222 unq 5 iso 0 dist 7.54212 6.74196 12.8595 6.42798 12.5287 7.97027 11.8674 12.6553 13.3586 9.62632 numMergedOcc 0
32 mol 222 unq 6 iso 0 dist 7.54212 6.74196 12.8595 6.42798 12.5287 7.97027 6.00706 6.8425 8.84507 7.862 numMergedOcc 0
33 mol 222 unq 7 iso 0 dist 7.54212 8.36842 12.5866 6.42798 12.5287 4.9876 12.6531 17.2569 5.64455 9.2581 numMergedOcc 0
34 mol 222 unq 8 iso 0 dist 7.54212 8.36842 12.5866 6.42798 12.5287 4.9876 11.8674 12.6553 5.9478 9.62632 numMergedOcc 0
35 mol 222 unq 9 iso 0 dist 7.54212 8.36842 12.5866 6.42798 12.5287 4.9876 6.00706 6.8425 6.02502 7.862 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 7.09863 5.23634 5.83175 10.5813 12.2278 9.43618 7.22101 4.39704 5.0317 8.03442 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 10.7551 11.2809 6.53286 12.2442 10.027 4.48415 5.52379 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 7.31233 9.12776 10.3162 11.0349 11.9624 6.53286 11.5794 10.1813 4.48415 5.52379 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 7.19638 7.15764 7.40852 13.9054 10.7615 9.39658 10.5136 6.0987 5.6214 6.11473 numMergedOcc 0
40 mol 252 unq 1 iso 0 dist 7.19638 7.15764 7.40852 7.63376 7.50201 5.9974 10.5136 6.0987 5.6214 6.53679 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 9.17653 8.29262 10.7813 9.37297 15.2775 6.02757 9.90113 14.4574 5.71153 7.52281 numMergedOcc 0
42 mol 264 unq 1 iso 0 dist 9.17653 8.29262 10.7813 9.37297 15.2775 6.02757 13.9815 16.6464 6.56539 6.42588 numMergedOcc 0
