0 mol 54 unq 0 iso 0 dist 8.62769 12.8594 6.09782 11.1809 7.07339 6.11075 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 6.09782 12.8594 8.62769 6.11075 7.07339 11.1809 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 8.62769 12.8594 6.09782 7.13002 7.23317 8.4509 numMergedOcc 0
3 mol 54 unq 1 iso 1 dist 6.09782 12.8594 8.62769 8.4509 7.23317 7.13002 numMergedOcc 0
4 mol 75 unq 0 iso 0 dist 7.16583 7.24623 7.118 6.05353 9.81166 9.08979 numMergedOcc 0
5 mol 75 unq 0 iso 1 dist 7.118 7.24623 7.16583 9.08979 9.81166 6.05353 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.30169 5.61055 8.91983 6.11478 5.73743 6.42704 numMergedOcc 0
7 mol 91 unq 0 iso 1 dist 8.91983 5.61055 8.30169 6.42704 5.73743 6.11478 numMergedOcc 0
8 mol 174 unq 0 iso 0 dist 4.93781 7.04909 9.32818 10.4483 8.87569 13.3134 numMergedOcc 0
9 mol 174 unq 0 iso 1 dist 9.32818 7.04909 4.93781 13.3134 8.87569 10.4483 numMergedOcc 0
10 mol 174 unq 1 iso 0 dist 4.93781 7.04909 9.32818 12.0746 9.87122 16.4521 numMergedOcc 0
11 mol 174 unq 1 iso 1 dist 9.32818 7.04909 4.93781 16.4521 9.87122 12.0746 numMergedOcc 0
12 mol 174 unq 2 iso 0 dist 4.93781 9.84289 7.03029 10.4483 8.87569 6.97204 numMergedOcc 0
13 mol 174 unq 2 iso 1 dist 7.03029 9.84289 4.93781 6.97204 8.87569 10.4483 numMergedOcc 0
14 mol 174 unq 3 iso 0 dist 4.93781 9.84289 7.03029 12.0746 9.87122 9.84841 numMergedOcc 0
15 mol 174 unq 3 iso 1 dist 7.03029 9.84289 4.93781 9.84841 9.87122 12.0746 numMergedOcc 0
16 mol 174 unq 2 iso 0 dist 9.32818 9.90172 7.03029 13.3134 8.87569 6.97204 numMergedOcc 0
17 mol 174 unq 2 iso 1 dist 7.03029 9.90172 9.32818 6.97204 8.87569 13.3134 numMergedOcc 0
18 mol 174 unq 3 iso 0 dist 9.32818 9.90172 7.03029 16.4521 9.87122 9.84841 numMergedOcc 0
19 mol 174 unq 3 iso 1 dist 7.03029 9.90172 9.32818 9.84841 9.87122 16.4521 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 7.10166 16.3504 9.66896 14.2366 7.75885 5.91675 numMergedOcc 0
21 mol 206 unq 0 iso 1 dist 9.66896 16.3504 7.10166 5.91675 7.75885 14.2366 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 6.53736 7.38798 8.18851 11.3924 7.10826 8.48795 numMergedOcc 0
23 mol 210 unq 0 iso 1 dist 8.18851 7.38798 6.53736 8.48795 7.10826 11.3924 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 9.68515 10.4254 8.09769 4.06981 7.59632 6.66401 numMergedOcc 0
25 mol 219 unq 0 iso 1 dist 8.09769 10.4254 9.68515 6.66401 7.59632 4.06981 numMergedOcc 0
26 mol 219 unq 1 iso 0 dist 9.68515 11.7281 6.75833 4.06981 7.59632 9.30251 numMergedOcc 0
27 mol 219 unq 1 iso 1 dist 6.75833 11.7281 9.68515 9.30251 7.59632 4.06981 numMergedOcc 0
28 mol 219 unq 1 iso 0 dist 8.09769 10.676 6.75833 6.66401 7.59632 9.30251 numMergedOcc 0
29 mol 219 unq 1 iso 1 dist 6.75833 10.676 8.09769 9.30251 7.59632 6.66401 numMergedOcc 0
30 mol 240 unq 0 iso 0 dist 6.01168 12.4409 6.83069 6.08726 6.68687 10.24 numMergedOcc 0
31 mol 240 unq 0 iso 1 dist 6.83069 12.4409 6.01168 10.24 6.68687 6.08726 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 8.40961 6.56107 9.42213 5.87081 9.76787 11.8683 numMergedOcc 0
33 mol 280 unq 0 iso 1 dist 9.42213 6.56107 8.40961 11.8683 9.76787 5.87081 numMergedOcc 0
34 mol 284 unq 0 iso 0 dist 7.2795 8.53089 7.35866 6.5455 9.33437 5.40432 numMergedOcc 0
35 mol 284 unq 0 iso 1 dist 7.35866 8.53089 7.2795 5.40432 9.33437 6.5455 numMergedOcc 0
36 mol 284 unq 1 iso 0 dist 9.41428 8.53089 7.32482 6.5455 7.8343 5.40432 numMergedOcc 0
37 mol 284 unq 1 iso 1 dist 7.32482 8.53089 9.41428 5.40432 7.8343 6.5455 numMergedOcc 0
38 mol 284 unq 2 iso 0 dist 9.41428 13.5143 8.08993 6.5455 7.8343 7.98227 numMergedOcc 0
39 mol 284 unq 2 iso 1 dist 8.08993 13.5143 9.41428 7.98227 7.8343 6.5455 numMergedOcc 0
40 mol 284 unq 2 iso 0 dist 7.32482 9.79667 8.08993 5.40432 7.8343 7.98227 numMergedOcc 0
41 mol 284 unq 2 iso 1 dist 8.08993 9.79667 7.32482 7.98227 7.8343 5.40432 numMergedOcc 0
42 mol 287 unq 0 iso 0 dist 7.30618 8.53973 9.22306 8.32567 8.91712 7.04567 numMergedOcc 0
43 mol 287 unq 0 iso 1 dist 9.22306 8.53973 7.30618 7.04567 8.91712 8.32567 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 7.30618 8.53973 9.22306 8.32567 8.91712 7.04567 numMergedOcc 0
45 mol 288 unq 0 iso 1 dist 9.22306 8.53973 7.30618 7.04567 8.91712 8.32567 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 7.30618 8.53973 9.22306 8.32567 8.91712 7.04567 numMergedOcc 0
47 mol 289 unq 0 iso 1 dist 9.22306 8.53973 7.30618 7.04567 8.91712 8.32567 numMergedOcc 0
