0 mol 10 unq 0 iso 0 dist 8.00369 9.69704 6.18431 5.4745 9.07726 7.06787 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 8.00369 5.4745 9.07726 9.69704 6.18431 7.06787 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.2004 7.19293 9.85784 5.56258 9.87996 3.75822 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.2004 5.56258 9.87996 7.19293 9.85784 3.75822 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 4.90592 8.10397 6.61696 9.57743 5.80953 10.7501 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 4.90592 9.57743 5.80953 8.10397 6.61696 10.7501 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 9.36461 13.8334 6.61696 4.47891 5.80953 10.7501 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 9.36461 4.47891 5.80953 13.8334 6.61696 10.7501 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 6.55815 4.60505 6.00377 6.70839 9.35623 3.6458 numMergedOcc 0
9 mol 30 unq 0 iso 1 dist 6.55815 6.70839 9.35623 4.60505 6.00377 3.6458 numMergedOcc 0
10 mol 30 unq 1 iso 0 dist 6.55815 4.60505 6.00377 8.85891 9.4577 6.23294 numMergedOcc 0
11 mol 30 unq 1 iso 1 dist 6.55815 8.85891 9.4577 4.60505 6.00377 6.23294 numMergedOcc 0
12 mol 30 unq 1 iso 0 dist 6.55815 6.70839 9.35623 8.85891 9.4577 4.77197 numMergedOcc 0
13 mol 30 unq 1 iso 1 dist 6.55815 8.85891 9.4577 6.70839 9.35623 4.77197 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.62229 6.0309 7.58739 11.5843 9.01564 7.13086 numMergedOcc 0
15 mol 58 unq 0 iso 1 dist 6.62229 11.5843 9.01564 6.0309 7.58739 7.13086 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 6.62229 6.0309 7.58739 7.05093 7.11065 5.68445 numMergedOcc 0
17 mol 58 unq 1 iso 1 dist 6.62229 7.05093 7.11065 6.0309 7.58739 5.68445 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 6.62229 11.5843 9.01564 7.05093 7.11065 6.20884 numMergedOcc 0
19 mol 58 unq 1 iso 1 dist 6.62229 7.05093 7.11065 11.5843 9.01564 6.20884 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 6.48232 10.9746 8.96616 7.8972 6.14542 3.30399 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 6.48232 7.8972 6.14542 10.9746 8.96616 3.30399 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 8.70863 12.7386 5.05893 14.1999 5.71866 3.78063 numMergedOcc 0
23 mol 85 unq 0 iso 1 dist 8.70863 14.1999 5.71866 12.7386 5.05893 3.78063 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 9.77017 8.59786 8.72725 9.00531 6.11407 5.11 numMergedOcc 0
25 mol 112 unq 0 iso 1 dist 9.77017 9.00531 6.11407 8.59786 8.72725 5.11 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 9.78667 12.6553 7.42144 13.5035 6.27658 3.3724 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 9.78667 13.5035 6.27658 12.6553 7.42144 3.3724 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 8.47026 10.1588 7.42144 11.7454 6.27658 3.3724 numMergedOcc 0
29 mol 141 unq 1 iso 1 dist 8.47026 11.7454 6.27658 10.1588 7.42144 3.3724 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 7.32555 5.70722 9.34834 8.34756 5.74846 6.47468 numMergedOcc 0
31 mol 171 unq 0 iso 1 dist 7.32555 8.34756 5.74846 5.70722 9.34834 6.47468 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 4.5271 5.40422 6.56416 6.38897 6.88127 8.40937 numMergedOcc 0
33 mol 186 unq 0 iso 1 dist 4.5271 6.38897 6.88127 5.40422 6.56416 8.40937 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 6.37788 5.28603 4.19371 10.7058 9.71015 6.41254 numMergedOcc 0
35 mol 194 unq 0 iso 1 dist 6.37788 10.7058 9.71015 5.28603 4.19371 6.41254 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 8.7028 11.0713 4.19371 16.9177 9.71015 6.41254 numMergedOcc 0
37 mol 194 unq 1 iso 1 dist 8.7028 16.9177 9.71015 11.0713 4.19371 6.41254 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 9.76411 6.66311 8.48879 10.8013 5.89591 7.12401 numMergedOcc 0
39 mol 196 unq 0 iso 1 dist 9.76411 10.8013 5.89591 6.66311 8.48879 7.12401 numMergedOcc 0
40 mol 196 unq 1 iso 0 dist 9.76411 6.66311 8.48879 17.0364 9.72376 13.9022 numMergedOcc 0
41 mol 196 unq 1 iso 1 dist 9.76411 17.0364 9.72376 6.66311 8.48879 13.9022 numMergedOcc 0
42 mol 196 unq 1 iso 0 dist 9.76411 10.8013 5.89591 17.0364 9.72376 6.81108 numMergedOcc 0
43 mol 196 unq 1 iso 1 dist 9.76411 17.0364 9.72376 10.8013 5.89591 6.81108 numMergedOcc 0
44 mol 260 unq 0 iso 0 dist 7.99521 11.362 6.75725 5.38958 9.31888 14.374 numMergedOcc 0
45 mol 260 unq 0 iso 1 dist 7.99521 5.38958 9.31888 11.362 6.75725 14.374 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 7.79704 14.6057 7.77765 6.522 9.65868 13.5848 numMergedOcc 0
47 mol 274 unq 0 iso 1 dist 7.79704 6.522 9.65868 14.6057 7.77765 13.5848 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 9.39276 15.1159 7.77765 7.44746 9.65868 13.5848 numMergedOcc 0
49 mol 274 unq 1 iso 1 dist 9.39276 7.44746 9.65868 15.1159 7.77765 13.5848 numMergedOcc 0
