0 mol 2 unq 0 iso 0 dist 9.53758 5.7104 6.35342 11.3896 6.23988 9.58976 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 5.65405 5.59773 10.4186 5.42328 6.59893 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 12.1582 10.9023 8.82095 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 6.85094 7.15161 5.92705 12.8266 8.0979 9.62468 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 9.94756 18.7183 9.62468 17.9242 8.0979 5.92705 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 8.40844 5.47475 7.26679 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.40844 5.33851 9.68526 6.99156 4.4628 9.72442 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.40844 13.4367 7.26679 7.84699 5.47475 6.89722 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 6.99156 5.33851 9.72442 8.40844 4.4628 9.68526 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 6.99156 16.0086 9.02288 12.2348 7.64038 9.58544 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 7.02351 13.6586 9.68526 10.4593 4.4628 9.72442 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 7.02351 10.3774 7.26679 12.1654 5.47475 6.89722 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 7.53504 9.64124 6.89722 8.66342 5.47475 7.26679 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 8.66342 16.8585 9.68526 7.21285 4.4628 9.72442 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 8.66342 9.64124 7.26679 7.53504 5.47475 6.89722 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 7.21285 16.8585 9.72442 8.66342 4.4628 9.68526 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 7.21285 4.91508 9.02288 6.95094 7.64038 9.58544 numMergedOcc 0
17 mol 73 unq 12 iso 0 dist 6.95094 4.91508 9.58544 7.21285 7.64038 9.02288 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 9.61113 13.9809 9.01767 7.59973 7.56811 9.80678 numMergedOcc 0
19 mol 102 unq 1 iso 0 dist 7.59973 13.9809 9.80678 9.61113 7.56811 9.01767 numMergedOcc 0
20 mol 102 unq 2 iso 0 dist 7.73836 5.09542 9.01767 10.8539 7.56811 9.80678 numMergedOcc 0
21 mol 130 unq 0 iso 0 dist 8.26291 10.9365 7.83619 17.9497 15.0214 9.91643 numMergedOcc 0
22 mol 130 unq 1 iso 0 dist 7.86001 5.63567 7.83619 13.5796 15.0214 9.91643 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 8.7301 8.09035 6.5874 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 8.7301 5.29825 6.5874 5.50364 8.09035 8.97145 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 4.35909 5.32859 7.44191 5.77393 8.67658 6.00053 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 5.77393 5.32859 6.00053 4.35909 8.67658 7.44191 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 8.84278 8.28789 4.58599 13.026 6.76201 8.78568 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 7.46044 13.1803 9.75313 17.2648 11.6002 6.08709 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 4.99301 5.25583 6.56437 6.36813 6.35724 6.23882 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 4.99301 5.25583 6.56437 13.3762 10.9885 9.53131 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 4.99301 5.25583 6.56437 14.4875 14.4585 9.34636 numMergedOcc 0
32 mol 224 unq 4 iso 0 dist 6.36813 5.25583 6.23882 4.99301 6.35724 6.56437 numMergedOcc 0
33 mol 224 unq 5 iso 0 dist 6.36813 5.25583 6.23882 13.3762 13.2305 9.53131 numMergedOcc 0
34 mol 224 unq 6 iso 0 dist 6.36813 5.25583 6.23882 14.4875 14.027 9.34636 numMergedOcc 0
35 mol 224 unq 7 iso 0 dist 7.7163 11.8217 9.34636 18.3068 14.4585 6.56437 numMergedOcc 0
36 mol 224 unq 8 iso 0 dist 7.7163 11.8217 9.34636 16.4902 14.027 6.23882 numMergedOcc 0
37 mol 224 unq 9 iso 0 dist 7.7163 11.8217 9.34636 14.6367 7.4034 9.53131 numMergedOcc 0
38 mol 224 unq 10 iso 0 dist 9.06201 11.9904 9.34636 18.2476 14.4585 6.56437 numMergedOcc 0
39 mol 224 unq 11 iso 0 dist 9.06201 11.9904 9.34636 14.6984 14.027 6.23882 numMergedOcc 0
40 mol 224 unq 12 iso 0 dist 9.06201 11.9904 9.34636 15.6258 7.4034 9.53131 numMergedOcc 0
41 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 6.50067 5.2966 8.91685 numMergedOcc 0
42 mol 249 unq 1 iso 0 dist 6.50067 8.68833 8.91685 5.66519 5.2966 7.29898 numMergedOcc 0
43 mol 257 unq 0 iso 0 dist 5.65496 6.75122 4.97263 10.973 6.0137 7.0132 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 5.68643 7.48637 9.91395 12.136 10.3541 7.80446 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 7.59956 4.89399 7.79904 14.5587 12.757 9.86142 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 8.05503 10.9974 7.79904 13.7143 12.757 9.86142 numMergedOcc 0
47 mol 274 unq 3 iso 0 dist 5.59151 7.60191 7.79904 8.17922 12.757 9.86142 numMergedOcc 0
48 mol 274 unq 4 iso 0 dist 8.17922 10.374 7.80446 14.8666 10.3541 9.91395 numMergedOcc 0
49 mol 274 unq 5 iso 0 dist 8.17922 7.60191 9.86142 5.59151 12.757 7.79904 numMergedOcc 0
50 mol 274 unq 6 iso 0 dist 7.24089 5.56999 6.00877 10.0585 5.09461 8.66451 numMergedOcc 0
51 mol 274 unq 7 iso 0 dist 9.29005 10.2696 6.00877 8.16746 5.09461 8.66451 numMergedOcc 0
52 mol 274 unq 8 iso 0 dist 8.16746 10.2696 8.66451 9.29005 5.09461 6.00877 numMergedOcc 0
53 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 7.14443 6.38894 5.80981 numMergedOcc 0
54 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 14.4248 12.9312 9.63346 numMergedOcc 0
55 mol 282 unq 2 iso 0 dist 7.14443 4.89059 5.80981 6.40686 6.38894 5.67266 numMergedOcc 0
56 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 14.4248 12.8857 9.63346 numMergedOcc 0
