0 mol 18 unq 0 iso 0 dist 6.39307 5.3982 8.43157 4.49033 5.04478 9.13179 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.69574 10.6588 8.81519 6.13812 5.81001 11.5096 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 5.40748 7.88793 9.31516 4.9516 7.11695 11.0303 numMergedOcc 0
3 mol 53 unq 1 iso 0 dist 5.40748 7.88793 9.31516 5.25639 7.58093 5.40507 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 9.62411 7.3581 8.80745 5.35972 5.64432 4.94373 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 7.31989 10.6622 8.80745 5.77806 5.64432 4.94373 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 7.55644 4.93796 8.68698 6.1164 9.86405 10.2766 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.43496 12.5193 9.48388 15.7577 9.39807 9.01736 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 5.56446 5.05068 7.11411 7.03121 4.26972 5.77447 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 5.56446 5.05068 7.11411 5.65619 7.54341 7.34471 numMergedOcc 0
10 mol 219 unq 0 iso 0 dist 6.52136 6.90398 8.38773 6.16486 7.30481 9.78352 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 6.96382 15.2081 8.28643 13.1765 7.39547 6.23871 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 6.96382 15.2081 8.28643 8.92175 7.24334 11.3884 numMergedOcc 0
13 mol 247 unq 0 iso 0 dist 9.01651 9.83927 7.95874 14.1218 8.53041 11.6807 numMergedOcc 0
14 mol 247 unq 1 iso 0 dist 8.83903 5.40081 7.95874 9.55655 8.53041 11.6807 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 7.27503 10.5646 7.88296 10.3966 8.5613 9.25828 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 7.27503 10.5646 7.88296 5.51525 5.7791 6.48544 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 8.89714 12.565 5.63226 14.6301 9.06937 11.8694 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 7.59142 12.8668 8.9352 13.1267 8.92667 10.2059 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 7.59142 12.8668 8.9352 6.7711 6.0283 11.5371 numMergedOcc 0
20 mol 279 unq 2 iso 0 dist 7.59142 12.3885 5.8845 13.1267 8.92667 5.61747 numMergedOcc 0
21 mol 279 unq 3 iso 0 dist 7.59142 12.3885 5.8845 6.7711 6.0283 7.28266 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 8.4275 10.147 9.60873 6.40657 9.60574 10.4634 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 7.78796 12.3343 6.79765 7.69175 6.1905 7.32101 numMergedOcc 0
