0 mol 64 unq 0 iso 0 dist 8.52643 9.75299 4.78627 7.59945 5.45684 7.66372 13.3239 7.76644 9.99743 5.8441 numMergedOcc 0
1 mol 64 unq 0 iso 1 dist 9.75299 8.52643 4.78627 13.3239 9.99743 7.76644 7.59945 7.66372 5.45684 5.8441 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.52643 9.75299 4.78627 13.3239 7.76644 9.99743 7.59945 5.45684 7.66372 5.8441 numMergedOcc 0
3 mol 64 unq 1 iso 1 dist 9.75299 8.52643 4.78627 7.59945 7.66372 5.45684 13.3239 9.99743 7.76644 5.8441 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 5.41357 9.30042 4.78627 5.65551 5.45684 7.66372 9.81422 7.76644 9.99743 5.8441 numMergedOcc 0
5 mol 64 unq 2 iso 1 dist 9.30042 5.41357 4.78627 9.81422 9.99743 7.76644 5.65551 7.66372 5.45684 5.8441 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 5.41357 9.30042 4.78627 9.81422 7.76644 9.99743 5.65551 5.45684 7.66372 5.8441 numMergedOcc 0
7 mol 64 unq 3 iso 1 dist 9.30042 5.41357 4.78627 5.65551 7.66372 5.45684 9.81422 9.99743 7.76644 5.8441 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 7.51967 7.15248 11.9277 6.72978 9.25638 13.191 12.8718 17.7916 9.8048 15.0604 numMergedOcc 0
9 mol 67 unq 0 iso 1 dist 7.15248 7.51967 11.9277 12.8718 9.8048 17.7916 6.72978 13.191 9.25638 15.0604 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 6.04303 7.15248 9.42543 6.72978 8.01856 13.191 12.8718 13.7104 9.8048 15.0604 numMergedOcc 0
11 mol 67 unq 1 iso 1 dist 7.15248 6.04303 9.42543 12.8718 9.8048 13.7104 6.72978 13.191 8.01856 15.0604 numMergedOcc 0
12 mol 67 unq 2 iso 0 dist 6.12267 8.43162 9.42543 6.39609 8.01856 13.191 9.08666 13.7104 9.8048 15.0604 numMergedOcc 0
13 mol 67 unq 2 iso 1 dist 8.43162 6.12267 9.42543 9.08666 9.8048 13.7104 6.39609 13.191 8.01856 15.0604 numMergedOcc 0
14 mol 87 unq 0 iso 0 dist 6.22441 5.91543 5.78586 4.54351 7.35921 9.83067 6.17843 9.68492 9.78949 7.69523 numMergedOcc 0
15 mol 87 unq 0 iso 1 dist 5.91543 6.22441 5.78586 6.17843 9.78949 9.68492 4.54351 9.83067 7.35921 7.69523 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 4.81837 6.43519 9.98031 6.25023 7.25362 12.381 5.07259 9.27861 8.27071 6.15397 numMergedOcc 0
17 mol 205 unq 0 iso 1 dist 6.43519 4.81837 9.98031 5.07259 8.27071 9.27861 6.25023 12.381 7.25362 6.15397 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.25149 8.6368 11.0459 8.17619 9.57625 8.08702 7.36665 12.5698 9.984 10.3111 numMergedOcc 0
19 mol 220 unq 0 iso 1 dist 8.6368 5.25149 11.0459 7.36665 9.984 12.5698 8.17619 8.08702 9.57625 10.3111 numMergedOcc 0
20 mol 223 unq 0 iso 0 dist 6.97426 8.87456 4.71901 4.68566 7.96628 7.76053 11.1044 12.8908 9.65728 7.55127 numMergedOcc 0
21 mol 223 unq 0 iso 1 dist 8.87456 6.97426 4.71901 11.1044 9.65728 12.8908 4.68566 7.76053 7.96628 7.55127 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.01071 8.86185 15.9311 13.3781 7.449 20.3692 10.1043 18.9779 7.80073 23.1877 numMergedOcc 0
23 mol 239 unq 0 iso 1 dist 8.86185 9.01071 15.9311 10.1043 7.80073 18.9779 13.3781 20.3692 7.449 23.1877 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 9.01071 8.86185 15.9311 14.2324 8.98789 22.4527 10.1043 18.9779 7.80073 23.7232 numMergedOcc 0
25 mol 239 unq 1 iso 1 dist 8.86185 9.01071 15.9311 10.1043 7.80073 18.9779 14.2324 22.4527 8.98789 23.7232 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 7.58385 6.0437 5.29945 6.29331 8.25759 6.99444 6.8395 13.3884 9.38192 10.4134 numMergedOcc 0
27 mol 261 unq 0 iso 1 dist 6.0437 7.58385 5.29945 6.8395 9.38192 13.3884 6.29331 6.99444 8.25759 10.4134 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 14.0575 13.9195 8.5458 20.6917 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 7.43524 13.972 9.84741 20.6917 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 10.6005 11.3395 8.56533 15.9604 numMergedOcc 0
31 mol 287 unq 1 iso 1 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 7.43524 13.972 9.84741 15.9604 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 14.0575 13.9195 8.5458 20.6917 numMergedOcc 0
33 mol 288 unq 0 iso 1 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 7.43524 13.972 9.84741 20.6917 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 10.6005 11.3395 8.56533 15.9604 numMergedOcc 0
35 mol 288 unq 1 iso 1 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 7.43524 13.972 9.84741 15.9604 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 14.0575 13.9195 8.5458 20.6917 numMergedOcc 0
37 mol 289 unq 0 iso 1 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 7.43524 13.972 9.84741 20.6917 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 10.6005 11.3395 8.56533 15.9604 numMergedOcc 0
39 mol 289 unq 1 iso 1 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 7.43524 13.972 9.84741 15.9604 numMergedOcc 0
