0 mol 12 unq 0 iso 0 dist 8.01372 7.24704 4.49007 4.4802 4.76018 4.98378 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.54052 9.45804 5.7405 6.2425 6.30987 10.352 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 7.98453 5.23343 6.58279 4.39526 9.0008 5.52457 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 7.98453 5.23343 6.58279 6.25641 9.77887 5.42811 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.34031 14.7574 9.95103 9.46418 7.09065 7.59628 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 7.38829 10.4884 8.44423 11.0896 8.84087 16.5096 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 7.38829 10.4884 8.44423 6.41542 6.32615 13.7948 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 7.38829 10.4884 8.44423 5.6419 7.73791 13.1267 numMergedOcc 0
8 mol 134 unq 3 iso 0 dist 7.38829 10.4884 8.44423 7.76417 6.75145 9.40894 numMergedOcc 0
9 mol 134 unq 4 iso 0 dist 7.38829 10.4884 8.44423 11.8695 8.1856 12.8232 numMergedOcc 0
10 mol 134 unq 5 iso 0 dist 7.38829 6.18914 6.16169 11.0896 8.84087 13.6359 numMergedOcc 0
11 mol 134 unq 6 iso 0 dist 7.38829 6.18914 6.16169 6.41542 6.32615 10.1365 numMergedOcc 0
12 mol 134 unq 7 iso 0 dist 7.38829 6.18914 6.16169 5.6419 7.73791 9.44405 numMergedOcc 0
13 mol 134 unq 8 iso 0 dist 7.38829 6.18914 6.16169 7.76417 6.75145 7.19897 numMergedOcc 0
14 mol 134 unq 9 iso 0 dist 7.38829 6.18914 6.16169 11.8695 8.1856 11.4106 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.93424 13.0903 7.35385 13.2439 7.31037 10.3678 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.83216 6.20034 9.69399 5.5932 7.80054 6.28495 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 8.70622 4.44449 6.53696 10.2331 8.99988 11.158 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 8.70622 4.44449 6.53696 6.77092 6.99693 8.65486 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 9.22128 4.96518 6.20377 10.584 7.95766 10.2924 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 6.37362 5.09741 9.76712 4.3714 9.18069 6.47178 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 9.9394 5.04194 9.76712 5.90982 9.18069 6.47178 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 8.83246 12.239 9.7659 4.54735 7.36811 7.79284 numMergedOcc 0
23 mol 294 unq 1 iso 0 dist 8.83246 7.11058 6.1268 4.54735 7.36811 7.94082 numMergedOcc 0
