0 mol 34 unq 0 iso 0 dist 8.36524 4.81606 9.44189 10.0272 7.18022 7.31884 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.36524 4.81606 9.44189 6.65242 6.24711 4.38777 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 6.66818 8.92291 6.59001 6.66407 10.0882 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.72872 4.09633 5.63261 7.72003 7.16132 7.35491 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.43143 12.6797 8.96978 12.6194 7.12321 6.82436 numMergedOcc 0
5 mol 74 unq 0 iso 0 dist 9.32783 11.9335 9.14563 4.4368 7.93281 7.64117 numMergedOcc 0
6 mol 74 unq 1 iso 0 dist 9.32783 8.22643 6.33741 4.4368 7.93281 4.40012 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.61812 9.18537 4.5985 17.6236 9.90751 10.3433 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.61812 9.18537 4.5985 17.5707 9.21662 8.59989 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.00172 12.9222 4.51266 7.44092 8.77023 13.2024 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.31276 7.24636 6.50009 6.67639 9.10524 4.20094 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.31276 7.24636 6.50009 4.72407 6.42772 5.40695 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 8.94541 9.67406 8.65986 8.17498 9.00918 15.3248 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 8.94541 9.67406 8.65986 10.9758 7.99477 15.8799 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 7.30919 15.7575 8.65986 6.67639 9.00918 15.3248 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 7.30919 15.7575 8.65986 4.4987 7.99477 15.8799 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.52413 11.6031 8.64379 6.21482 7.2793 7.32479 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 9.52413 11.6031 8.64379 6.47581 9.51091 6.54014 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 9.52413 11.6031 8.64379 16.7739 7.85184 9.61273 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 7.39185 6.59104 6.42016 4.31898 7.41662 4.16334 numMergedOcc 0
20 mol 195 unq 1 iso 0 dist 4.78641 7.78918 6.42016 8.15463 7.41662 4.16334 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 9.73691 13.8211 8.96646 5.23399 8.22569 9.80335 numMergedOcc 0
22 mol 213 unq 1 iso 0 dist 9.73691 14.9053 7.2016 5.23399 8.22569 11.8408 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 9.93754 7.27468 9.88976 5.30128 6.50998 5.95485 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 9.93754 7.27468 9.88976 7.291 9.09424 13.0993 numMergedOcc 0
25 mol 225 unq 2 iso 0 dist 9.93754 7.27468 9.88976 15.2642 8.14831 17.2402 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 7.43241 11.0973 8.06073 11.847 5.83329 5.22292 numMergedOcc 0
