0 mol 7 unq 0 iso 0 dist 6.64176 6.70503 5.99972 14.9053 12.0193 8.41585 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 8.72923 6.01116 6.31696 12.5042 11.6682 9.80098 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 8.72923 6.01116 6.31696 6.08894 6.66056 7.34143 numMergedOcc 0
3 mol 52 unq 2 iso 0 dist 6.68656 4.98024 6.31696 14.4551 11.6682 9.80098 numMergedOcc 0
4 mol 52 unq 3 iso 0 dist 6.68656 4.98024 6.31696 9.02308 6.66056 7.34143 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.55279 5.83686 6.73347 10.5281 9.64444 7.71095 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.55279 5.83686 6.73347 11.8967 4.36133 8.84665 numMergedOcc 0
7 mol 59 unq 2 iso 0 dist 8.55279 5.83686 6.73347 12.977 6.66692 8.25513 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 7.63526 11.9454 9.25641 18.2132 13.5488 6.65721 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.14582 4.91291 8.91313 12.8498 17.5889 9.33898 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.14582 4.91291 8.91313 13.3075 13.3881 9.64443 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 5.38064 10.3471 7.80975 13.1604 7.97897 8.87449 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 5.38064 7.25847 7.10378 13.1295 10.6848 7.17106 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 8.11279 6.20162 8.76378 9.16549 15.5385 7.47343 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 8.11279 6.20162 8.76378 10.3136 12.3577 6.65086 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 8.11279 6.20162 8.76378 7.02792 4.97045 6.56369 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 8.11279 6.20162 8.76378 12.1758 10.7791 9.30209 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 5.7085 11.4228 8.8822 14.7123 10.1816 5.86073 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 7.98622 8.48942 7.58957 12.9478 5.68211 9.61051 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 7.98622 8.48942 7.58957 13.6244 10.5488 5.83384 numMergedOcc 0
20 mol 180 unq 0 iso 0 dist 8.66298 5.31 5.85827 10.5251 8.78204 9.62337 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.89987 7.89844 6.2479 14.6912 6.6251 9.1374 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.89987 7.89844 6.2479 11.1528 7.81713 8.03334 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 9.89987 16.1714 7.99195 14.6912 6.6251 5.98885 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 9.89987 16.1714 7.99195 19.7921 10.09 9.09537 numMergedOcc 0
25 mol 181 unq 4 iso 0 dist 9.91457 11.9245 5.94469 13.6771 7.77758 7.81386 numMergedOcc 0
26 mol 181 unq 5 iso 0 dist 9.91457 11.9245 5.94469 18.0805 12.5387 7.63312 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 8.28099 6.15341 8.73217 13.1651 11.7429 7.54065 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 9.71614 9.58683 8.77999 13.2648 8.49529 5.59424 numMergedOcc 0
29 mol 192 unq 1 iso 0 dist 9.71614 9.58683 8.77999 16.2921 11.7523 7.00794 numMergedOcc 0
30 mol 192 unq 2 iso 0 dist 8.81185 10.9985 8.77999 12.2815 8.49529 5.59424 numMergedOcc 0
31 mol 192 unq 3 iso 0 dist 8.81185 10.9985 8.77999 16.9446 11.7523 7.00794 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 8.70651 5.08111 9.40808 6.94983 4.9377 8.27212 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 8.88567 5.19951 6.30154 13.4078 7.44558 8.41436 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 8.88567 5.19951 6.30154 12.7045 10.9712 8.92474 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 9.45787 5.19951 7.32499 13.4078 10.7902 8.41436 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 9.45787 5.19951 7.32499 12.7045 4.4288 8.92474 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 8.05132 6.94683 9.01021 10.9983 10.0842 7.00034 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 9.43704 6.30874 7.6595 11.83 6.7919 6.97229 numMergedOcc 0
39 mol 258 unq 1 iso 0 dist 7.41653 11.7129 7.21311 11.736 5.63675 6.60405 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.98231 6.00315 7.98231 13.2261 8.41846 8.13497 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 9.98231 6.00315 7.98231 11.283 8.81835 7.88519 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 9.98231 5.69584 7.08526 11.283 8.81835 7.46176 numMergedOcc 0
