0 mol 28 unq 0 iso 0 dist 9.04621 15.2012 9.32784 6.95803 5.75809 10.9344 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.44081 15.1993 9.32784 4.3475 5.75809 10.9344 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 9.7205 4.62526 9.57176 13.9376 7.00857 11.721 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.15006 4.39945 5.09725 10.3999 7.60619 6.02092 numMergedOcc 0
4 mol 151 unq 0 iso 0 dist 8.7814 5.81788 8.70668 12.0886 8.16646 10.689 numMergedOcc 0
5 mol 153 unq 0 iso 0 dist 9.2733 6.77929 9.47241 6.79348 6.18934 4.634 numMergedOcc 0
6 mol 176 unq 0 iso 0 dist 9.44323 5.86817 8.36606 9.19675 9.95907 3.84631 numMergedOcc 0
7 mol 212 unq 0 iso 0 dist 9.52641 13.0021 9.88141 9.16362 9.20546 5.68716 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 6.74945 11.5022 7.10646 4.56852 5.04072 9.35225 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 6.74945 11.5022 7.10646 10.9557 8.67956 3.95521 numMergedOcc 0
10 mol 220 unq 2 iso 0 dist 5.15585 6.92811 7.10646 3.52029 5.04072 9.35225 numMergedOcc 0
11 mol 220 unq 3 iso 0 dist 5.15585 6.92811 7.10646 8.77645 8.67956 3.95521 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 6.84692 5.3748 9.26044 5.9338 7.14918 11.2097 numMergedOcc 0
13 mol 239 unq 1 iso 0 dist 6.84692 5.3748 9.26044 8.28284 9.29322 6.10489 numMergedOcc 0
14 mol 279 unq 0 iso 0 dist 9.94974 7.10871 5.15432 5.45788 5.76793 3.75969 numMergedOcc 0
15 mol 279 unq 1 iso 0 dist 9.94974 7.10871 5.15432 14.7551 7.72276 11.1754 numMergedOcc 0
16 mol 279 unq 2 iso 0 dist 9.94974 6.21202 8.2375 5.45788 5.76793 3.72823 numMergedOcc 0
17 mol 279 unq 3 iso 0 dist 9.94974 6.21202 8.2375 14.7551 7.72276 9.62805 numMergedOcc 0
18 mol 279 unq 4 iso 0 dist 9.94974 10.7671 9.23951 5.45788 5.76793 6.22298 numMergedOcc 0
19 mol 279 unq 5 iso 0 dist 9.94974 10.7671 9.23951 14.7551 7.72276 8.30922 numMergedOcc 0
20 mol 279 unq 6 iso 0 dist 4.54596 5.69688 5.15432 7.41722 5.76793 3.75969 numMergedOcc 0
21 mol 279 unq 7 iso 0 dist 4.54596 5.69688 5.15432 8.07304 7.72276 11.1754 numMergedOcc 0
22 mol 279 unq 8 iso 0 dist 4.54596 10.1983 8.2375 7.41722 5.76793 3.72823 numMergedOcc 0
23 mol 279 unq 9 iso 0 dist 4.54596 10.1983 8.2375 8.07304 7.72276 9.62805 numMergedOcc 0
24 mol 279 unq 10 iso 0 dist 4.54596 8.2301 9.23951 7.41722 5.76793 6.22298 numMergedOcc 0
25 mol 279 unq 11 iso 0 dist 4.54596 8.2301 9.23951 8.07304 7.72276 8.30922 numMergedOcc 0
26 mol 279 unq 12 iso 0 dist 8.32942 12.6943 5.15432 13.3793 5.76793 3.75969 numMergedOcc 0
27 mol 279 unq 13 iso 0 dist 8.32942 12.6943 5.15432 7.39007 7.72276 11.1754 numMergedOcc 0
28 mol 279 unq 14 iso 0 dist 8.32942 14.9381 8.2375 13.3793 5.76793 3.72823 numMergedOcc 0
29 mol 279 unq 15 iso 0 dist 8.32942 14.9381 8.2375 7.39007 7.72276 9.62805 numMergedOcc 0
30 mol 279 unq 16 iso 0 dist 8.32942 13.6162 9.23951 13.3793 5.76793 6.22298 numMergedOcc 0
31 mol 279 unq 17 iso 0 dist 8.32942 13.6162 9.23951 7.39007 7.72276 8.30922 numMergedOcc 0
32 mol 284 unq 0 iso 0 dist 5.84481 4.29335 9.91812 4.16786 6.61811 5.88619 numMergedOcc 0
