0 mol 1 unq 0 iso 0 dist 5.87976 5.84337 6.4181 8.3673 5.06184 6.86701 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.71167 9.7992 6.4181 12.042 5.06184 6.86701 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.80895 6.70503 5.51421 11.2262 4.7739 5.99459 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.50539 10.0986 8.40051 11.9662 6.29702 4.79873 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.50539 10.0986 8.40051 12.2699 13.591 9.48085 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.50539 5.55893 8.6396 10.5855 10.0172 7.52933 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 8.50539 5.55893 8.6396 9.66051 5.23233 6.55597 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 8.50539 5.55893 8.6396 14.9707 13.5673 9.71956 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 8.50539 5.55893 8.6396 12.256 10.4709 7.07751 numMergedOcc 0
9 mol 25 unq 6 iso 0 dist 8.50539 5.55893 8.6396 13.0297 12.2787 8.23761 numMergedOcc 0
10 mol 25 unq 7 iso 0 dist 8.50539 5.55893 8.6396 12.2699 13.591 9.49421 numMergedOcc 0
11 mol 25 unq 8 iso 0 dist 8.83402 13.7276 7.63928 10.4241 4.88495 7.99919 numMergedOcc 0
12 mol 62 unq 0 iso 0 dist 4.85282 4.05764 8.1599 5.6359 5.46563 6.9103 numMergedOcc 0
13 mol 67 unq 0 iso 0 dist 5.77675 6.45647 9.46247 5.35145 3.77705 8.3733 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 8.25884 5.82571 8.04256 11.3623 7.21365 7.39665 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 9.0101 9.08836 6.4551 14.73 5.79134 9.6952 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.52207 9.15202 6.58793 14.1406 6.97936 7.7068 numMergedOcc 0
17 mol 88 unq 0 iso 0 dist 7.66459 4.31214 9.72689 9.54537 10.0429 7.80898 numMergedOcc 0
18 mol 110 unq 0 iso 0 dist 7.25891 4.31022 7.09405 9.84682 7.7492 8.49678 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.22824 8.04019 9.60369 9.99927 4.63732 9.66543 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 8.22824 11.4517 9.55556 9.99927 4.63732 7.21868 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.39622 5.01462 8.96988 5.09756 3.6848 8.90571 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 6.44877 10.7735 7.0843 9.56615 3.5359 8.75536 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 6.44877 13.426 7.73315 9.56615 3.5359 7.33709 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 6.44877 11.5952 6.9398 9.56615 3.5359 6.67404 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 6.17749 12.5625 7.85877 10.8651 4.91709 5.56538 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 6.17749 12.5625 7.85877 10.5998 5.96186 7.48954 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 8.17234 12.61 8.6537 9.69367 3.72432 7.27993 numMergedOcc 0
28 mol 229 unq 1 iso 0 dist 8.17234 12.7466 8.75374 9.69367 3.72432 9.51168 numMergedOcc 0
29 mol 229 unq 2 iso 0 dist 8.17234 6.23286 5.57702 9.69367 3.72432 6.95201 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 6.28725 4.94699 7.86368 11.3427 9.8663 7.81215 numMergedOcc 0
