0 mol 18 unq 0 iso 0 dist 8.80193 9.35863 3.84273 9.4067 5.59658 8.11835 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.15893 9.06516 5.29055 7.97596 9.82851 8.97754 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.497 9.06516 4.76998 7.97596 9.11311 8.97754 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.90835 8.38156 10.4006 12.0023 11.3867 6.52283 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.90835 7.79336 7.68459 16.3505 14.1505 9.41098 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 6.47855 7.30265 3.91611 10.7428 10.6649 9.17793 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.6481 8.13051 5.45005 10.5052 6.41008 9.10675 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 9.52272 8.35444 14.2005 3.75088 12.874 6.23509 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 6.04903 9.1062 4.09232 5.27573 8.21895 9.19512 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 9.0008 8.96498 5.26394 11.4786 10.0501 5.88409 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 7.33541 5.29949 11.0969 5.46299 9.60837 9.60127 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.26955 6.55202 10.3622 3.71283 6.21165 4.55071 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.21403 5.73203 4.07076 5.45 5.13405 6.76852 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.21403 6.57379 6.32315 5.45 5.13405 4.94473 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 9.30424 7.46803 4.06908 4.19541 7.2932 6.60366 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 7.60254 7.06851 4.02702 7.8982 6.12453 8.21227 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.97471 7.25339 3.87082 6.54455 8.2241 9.4366 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 8.52969 6.11135 11.4789 8.27947 16.3531 6.68939 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 9.55606 8.66162 9.96173 3.99343 11.8362 7.33774 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 9.55606 8.66162 9.96173 11.4601 16.0688 6.39122 numMergedOcc 0
20 mol 204 unq 2 iso 0 dist 7.10526 5.3819 6.65648 6.68247 11.8881 8.23717 numMergedOcc 0
21 mol 204 unq 3 iso 0 dist 7.10526 5.3819 6.65648 7.51762 13.0568 7.98864 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 5.98039 7.12731 4.08768 4.43574 9.81585 9.50001 numMergedOcc 0
23 mol 237 unq 1 iso 0 dist 9.48932 7.12731 5.64112 4.43574 12.9084 9.50001 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 5.59555 8.59762 5.97664 8.99193 9.25759 4.93516 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 5.59555 8.59762 5.97664 8.99193 9.25759 4.93516 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 5.59555 8.59762 5.97664 8.99193 9.25759 4.93516 numMergedOcc 0
