0 mol 24 unq 0 iso 0 dist 8.3964 14.959 8.4051 10.6642 4.90592 4.33963 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 14.959 8.4051 8.81498 9.36461 17.4067 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.3964 7.79468 7.29868 10.6642 4.90592 12.0003 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.3964 7.79468 7.29868 8.81498 9.36461 6.00575 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.3964 9.85198 8.60554 10.6642 4.90592 11.2106 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.3964 9.85198 8.60554 8.81498 9.36461 5.97304 numMergedOcc 0
6 mol 27 unq 0 iso 0 dist 7.96312 16.3577 9.52474 4.7474 7.45532 13.9181 numMergedOcc 0
7 mol 27 unq 1 iso 0 dist 7.67129 16.8196 9.52474 9.37609 7.45532 13.9181 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.66506 12.8388 9.24757 5.67493 6.48232 8.26458 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.18097 10.5346 9.82915 11.155 8.70863 6.37974 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 8.83135 18.2314 9.82915 15.3247 8.70863 6.37974 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 9.23757 7.49434 9.06288 11.0252 7.71923 5.15287 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 9.15141 9.74883 5.93692 11.9665 4.74531 6.16846 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.49831 10.0526 6.46461 5.49264 5.06613 5.81236 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.4751 8.67611 6.64834 12.6565 7.32555 6.83134 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 6.4751 9.28655 5.93786 12.6565 7.32555 4.44751 numMergedOcc 0
16 mol 171 unq 2 iso 0 dist 6.4751 10.4021 8.24693 12.6565 7.32555 9.61561 numMergedOcc 0
17 mol 171 unq 3 iso 0 dist 6.4751 11.8046 7.36698 12.6565 7.32555 6.66219 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.79832 7.42609 9.77896 10.1424 5.89564 11.3554 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 5.4455 13.445 8.65535 10.3444 6.37788 6.66155 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 5.4455 13.445 8.65535 14.1482 8.7028 5.4499 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 8.82861 9.54287 7.32294 12.0796 5.91727 5.74707 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 8.2232 5.37531 8.07687 7.55044 9.14486 7.33454 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 6.07229 7.78332 8.07687 5.84258 9.14486 7.33454 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 7.46122 10.6943 6.59716 5.41948 5.37796 6.17628 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 8.27761 10.1991 8.50102 5.68442 6.57921 5.8023 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 8.27761 13.7819 9.40808 5.68442 6.57921 8.25884 numMergedOcc 0
27 mol 232 unq 2 iso 0 dist 9.25162 16.9877 9.05071 4.127 8.28466 14.8035 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 9.73172 4.7203 8.00673 7.10699 7.21972 6.54009 numMergedOcc 0
29 mol 278 unq 1 iso 0 dist 9.73172 6.42903 6.62841 7.10699 7.21972 5.73336 numMergedOcc 0
