0 mol 28 unq 0 iso 0 dist 9.04621 11.7895 9.86409 6.95803 5.75809 7.57437 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.44081 11.4343 9.86409 4.3475 5.75809 7.57437 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 6.32082 5.49317 6.67704 8.20452 6.93709 3.28726 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 6.93878 5.49317 6.67079 8.20452 6.38271 3.28726 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 9.7205 13.6072 9.16388 13.9376 7.00857 3.58776 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 8.91629 12.0238 5.43662 9.62739 8.44004 5.92118 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 7.10956 7.32033 7.59836 15.2652 9.08818 11.9472 numMergedOcc 0
7 mol 186 unq 1 iso 0 dist 7.10956 7.32033 7.59836 6.89078 7.93563 3.74763 numMergedOcc 0
8 mol 186 unq 2 iso 0 dist 7.10956 7.32033 7.59836 8.96035 5.70056 4.4787 numMergedOcc 0
9 mol 186 unq 3 iso 0 dist 7.10956 6.52597 9.94274 15.2652 9.08818 14.7313 numMergedOcc 0
10 mol 186 unq 4 iso 0 dist 7.10956 6.52597 9.94274 6.89078 7.93563 4.87674 numMergedOcc 0
11 mol 186 unq 5 iso 0 dist 7.10956 6.52597 9.94274 8.96035 5.70056 8.72129 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 5.24705 4.64654 6.62013 3.31938 5.8294 6.52211 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 6.74945 7.82886 8.06003 4.56852 5.04072 8.44353 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 6.74945 7.82886 8.06003 10.9557 8.67956 3.95528 numMergedOcc 0
15 mol 220 unq 2 iso 0 dist 5.15585 8.41585 8.06003 3.52029 5.04072 8.44353 numMergedOcc 0
16 mol 220 unq 3 iso 0 dist 5.15585 8.41585 8.06003 8.77645 8.67956 3.95528 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 9.94974 9.86876 7.10052 5.45788 5.76793 5.21917 numMergedOcc 0
18 mol 279 unq 1 iso 0 dist 9.94974 9.86876 7.10052 14.7551 7.72276 9.79726 numMergedOcc 0
19 mol 279 unq 2 iso 0 dist 4.54596 5.02303 7.10052 7.41722 5.76793 5.21917 numMergedOcc 0
20 mol 279 unq 3 iso 0 dist 4.54596 5.02303 7.10052 8.07304 7.72276 9.79726 numMergedOcc 0
21 mol 279 unq 4 iso 0 dist 8.32942 12.4162 7.10052 13.3793 5.76793 5.21917 numMergedOcc 0
22 mol 279 unq 5 iso 0 dist 8.32942 12.4162 7.10052 7.39007 7.72276 9.79726 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 5.84481 6.4111 5.24993 4.16786 6.61811 3.57807 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 7.06322 4.59906 6.68183 4.34603 8.27039 5.06937 numMergedOcc 0
