0 mol 14 unq 0 iso 0 dist 6.51872 8.60449 4.30684 6.9953 6.99915 10.0133 numMergedOcc 0
1 mol 74 unq 0 iso 0 dist 9.46313 9.02317 5.14252 5.35086 7.71862 10.0477 numMergedOcc 0
2 mol 74 unq 1 iso 0 dist 9.46313 7.81632 6.28556 5.35086 7.71862 9.73082 numMergedOcc 0
3 mol 74 unq 2 iso 0 dist 7.81632 9.46313 6.28556 5.35086 9.73082 7.71862 numMergedOcc 0
4 mol 74 unq 3 iso 0 dist 7.81632 9.02317 4.41861 5.35086 9.73082 10.0477 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 8.90372 6.09124 10.6185 14.6676 9.32172 17.6492 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 8.90372 6.09124 10.6185 11.0957 8.93486 13.8508 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.81788 7.01323 4.14485 5.5625 9.04371 6.50917 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 8.81788 7.01323 4.14485 6.39254 5.23177 6.77052 numMergedOcc 0
9 mol 91 unq 2 iso 0 dist 7.01323 8.81788 4.14485 5.5625 6.50917 9.04371 numMergedOcc 0
10 mol 91 unq 3 iso 0 dist 7.01323 8.81788 4.14485 6.39254 6.77052 5.23177 numMergedOcc 0
11 mol 91 unq 4 iso 0 dist 7.23655 6.26129 4.12972 10.2245 8.56547 5.23177 numMergedOcc 0
12 mol 91 unq 5 iso 0 dist 7.23655 5.8881 4.59251 10.2245 8.56547 6.77052 numMergedOcc 0
13 mol 91 unq 6 iso 0 dist 6.26129 7.23655 4.12972 10.2245 5.23177 8.56547 numMergedOcc 0
14 mol 91 unq 7 iso 0 dist 6.26129 7.23655 4.12972 6.88703 9.04371 10.8186 numMergedOcc 0
15 mol 91 unq 8 iso 0 dist 6.26129 5.8881 4.14485 10.2245 5.23177 6.77052 numMergedOcc 0
16 mol 91 unq 9 iso 0 dist 6.26129 5.8881 4.14485 6.88703 9.04371 6.50917 numMergedOcc 0
17 mol 91 unq 10 iso 0 dist 5.8881 7.23655 4.59251 10.2245 6.77052 8.56547 numMergedOcc 0
18 mol 91 unq 11 iso 0 dist 5.8881 7.23655 4.59251 6.88703 6.50917 10.8186 numMergedOcc 0
19 mol 91 unq 12 iso 0 dist 5.8881 6.26129 4.14485 10.2245 6.77052 5.23177 numMergedOcc 0
20 mol 91 unq 13 iso 0 dist 5.8881 6.26129 4.14485 6.88703 6.50917 9.04371 numMergedOcc 0
21 mol 103 unq 0 iso 0 dist 9.1984 5.21308 5.35848 9.17593 9.66944 10.3369 numMergedOcc 0
22 mol 110 unq 0 iso 0 dist 7.36326 7.34054 7.8037 6.88366 5.33139 9.91163 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 7.76429 7.59599 14.2424 11.9118 8.46429 16.5963 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 7.76429 7.59599 14.2424 6.34399 8.3417 10.08 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 7.76429 7.73733 6.82334 11.9118 8.46429 14.7036 numMergedOcc 0
26 mol 186 unq 3 iso 0 dist 7.76429 7.73733 6.82334 6.34399 8.3417 12.2988 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 9.60392 5.13145 6.46748 5.00377 6.8557 5.76109 numMergedOcc 0
28 mol 204 unq 1 iso 0 dist 9.60392 5.13145 6.46748 10.2196 6.13127 10.0983 numMergedOcc 0
29 mol 204 unq 2 iso 0 dist 5.13145 9.60392 6.46748 5.00377 5.76109 6.8557 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 6.74917 6.31608 8.50848 6.85131 6.4889 12.1323 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 5.67503 8.35562 7.24033 5.30097 5.90175 11.6038 numMergedOcc 0
