0 mol 34 unq 0 iso 0 dist 8.36524 8.8717 14.0576 10.0272 7.18022 11.6541 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.36524 8.8717 14.0576 6.65242 6.24711 9.58596 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.9651 5.94459 8.53692 4.60844 9.8703 8.05514 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.32783 6.2442 4.79817 4.4368 7.93281 6.3567 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.26438 9.9387 15.9335 7.53887 7.07971 17.0216 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 8.86938 5.9819 8.56707 9.50897 8.47988 4.99604 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 8.86938 5.9819 8.56707 11.9673 8.0427 10.2181 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 7.42474 5.9819 12.6695 4.9759 9.05166 7.44041 numMergedOcc 0
8 mol 112 unq 3 iso 0 dist 7.42474 5.9819 12.6695 6.59976 5.56994 10.2176 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.00172 8.37793 5.74088 7.44092 8.77023 11.9059 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.31276 5.8367 11.7434 6.67639 9.10524 12.1815 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.31276 5.8367 11.7434 4.72407 6.42772 6.99345 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 5.79157 5.8367 5.12325 4.72407 9.1998 6.99345 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 5.79157 5.8367 5.12325 7.97297 8.69531 5.11043 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 5.50687 5.8367 6.02179 4.4987 5.35237 8.48313 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 5.50687 5.8367 6.02179 4.72407 8.70621 6.99345 numMergedOcc 0
16 mol 134 unq 6 iso 0 dist 7.30919 5.8367 10.9332 6.67639 9.00918 12.1815 numMergedOcc 0
17 mol 134 unq 7 iso 0 dist 7.30919 5.8367 10.9332 4.4987 7.99477 8.48313 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 7.34207 6.03116 6.55507 13.1744 8.33439 9.82982 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.52413 6.59729 10.3944 6.21482 7.2793 9.9976 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 9.52413 6.59729 10.3944 6.47581 9.51091 12.0435 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 9.52413 6.59729 10.3944 16.7739 7.85184 18.0293 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 9.93754 6.06105 10.6484 5.30128 6.50998 9.57955 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 9.93754 6.06105 10.6484 7.291 9.09424 8.79277 numMergedOcc 0
24 mol 225 unq 2 iso 0 dist 9.93754 6.06105 10.6484 15.2642 8.14831 13.1568 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 6.48196 7.07507 8.2372 5.17683 8.51625 11.6407 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 7.43241 8.79958 13.016 11.847 5.83329 17.6557 numMergedOcc 0
