0 mol 20 unq 0 iso 0 dist 5.9809 5.83917 5.28474 8.19827 4.7579 3.21365 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 5.83917 5.9809 5.28474 8.19827 3.21365 4.7579 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.60018 7.03126 3.6461 8.88313 10.2297 11.7295 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 7.03126 7.60018 3.6461 8.88313 11.7295 10.2297 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.60018 7.03126 3.6461 5.48837 4.72216 5.77163 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 7.03126 7.60018 3.6461 5.48837 5.77163 4.72216 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 5.47706 8.89842 7.95975 7.03887 6.99884 14.1409 numMergedOcc 0
7 mol 78 unq 0 iso 1 dist 8.89842 5.47706 7.95975 7.03887 14.1409 6.99884 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 5.47706 8.89842 7.95975 5.36451 3.75261 11.1725 numMergedOcc 0
9 mol 78 unq 1 iso 1 dist 8.89842 5.47706 7.95975 5.36451 11.1725 3.75261 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 5.47706 8.89842 7.95975 9.28354 10.6388 17.572 numMergedOcc 0
11 mol 78 unq 2 iso 1 dist 8.89842 5.47706 7.95975 9.28354 17.572 10.6388 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 5.47706 8.07568 8.2592 7.03887 6.99884 4.75637 numMergedOcc 0
13 mol 78 unq 3 iso 1 dist 8.07568 5.47706 8.2592 7.03887 4.75637 6.99884 numMergedOcc 0
14 mol 78 unq 4 iso 0 dist 5.47706 8.07568 8.2592 5.36451 3.75261 5.62063 numMergedOcc 0
15 mol 78 unq 4 iso 1 dist 8.07568 5.47706 8.2592 5.36451 5.62063 3.75261 numMergedOcc 0
16 mol 78 unq 5 iso 0 dist 5.47706 8.07568 8.2592 9.28354 10.6388 3.81575 numMergedOcc 0
17 mol 78 unq 5 iso 1 dist 8.07568 5.47706 8.2592 9.28354 3.81575 10.6388 numMergedOcc 0
18 mol 78 unq 3 iso 0 dist 8.89842 8.07568 15.4762 7.03887 14.1409 4.75637 numMergedOcc 0
19 mol 78 unq 3 iso 1 dist 8.07568 8.89842 15.4762 7.03887 4.75637 14.1409 numMergedOcc 0
20 mol 78 unq 4 iso 0 dist 8.89842 8.07568 15.4762 5.36451 11.1725 5.62063 numMergedOcc 0
21 mol 78 unq 4 iso 1 dist 8.07568 8.89842 15.4762 5.36451 5.62063 11.1725 numMergedOcc 0
22 mol 78 unq 5 iso 0 dist 8.89842 8.07568 15.4762 9.28354 17.572 3.81575 numMergedOcc 0
23 mol 78 unq 5 iso 1 dist 8.07568 8.89842 15.4762 9.28354 3.81575 17.572 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 9.51318 9.84457 5.04906 9.51981 5.76547 3.62998 numMergedOcc 0
25 mol 95 unq 0 iso 1 dist 9.84457 9.51318 5.04906 9.51981 3.62998 5.76547 numMergedOcc 0
26 mol 135 unq 0 iso 0 dist 9.09753 7.6337 3.61409 9.94534 4.98191 5.83178 numMergedOcc 0
27 mol 135 unq 0 iso 1 dist 7.6337 9.09753 3.61409 9.94534 5.83178 4.98191 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 8.18023 7.46803 10.1474 8.08798 14.4074 5.94217 numMergedOcc 0
29 mol 143 unq 0 iso 1 dist 7.46803 8.18023 10.1474 8.08798 5.94217 14.4074 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.09234 6.76746 11.196 6.91878 5.09584 11.4645 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 6.76746 9.09234 11.196 6.91878 11.4645 5.09584 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.09234 8.92098 10.1041 6.91878 5.09584 11.5807 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 8.92098 9.09234 10.1041 6.91878 11.5807 5.09584 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 6.76746 8.92098 3.55187 6.91878 11.4645 11.5807 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 8.92098 6.76746 3.55187 6.91878 11.5807 11.4645 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 8.91356 9.57455 9.9109 9.27079 14.9585 7.82941 numMergedOcc 0
37 mol 225 unq 0 iso 1 dist 9.57455 8.91356 9.9109 9.27079 7.82941 14.9585 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 8.27411 6.96257 15.1017 5.69634 12.9557 4.70248 numMergedOcc 0
39 mol 234 unq 0 iso 1 dist 6.96257 8.27411 15.1017 5.69634 4.70248 12.9557 numMergedOcc 0
40 mol 254 unq 0 iso 0 dist 9.66641 9.26575 3.42946 7.23916 8.8967 9.42679 numMergedOcc 0
41 mol 254 unq 0 iso 1 dist 9.26575 9.66641 3.42946 7.23916 9.42679 8.8967 numMergedOcc 0
42 mol 254 unq 1 iso 0 dist 9.66641 9.26575 3.42946 6.12653 10.929 10.706 numMergedOcc 0
43 mol 254 unq 1 iso 1 dist 9.26575 9.66641 3.42946 6.12653 10.706 10.929 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 8.84648 6.23661 8.0048 9.28024 6.12744 11.169 numMergedOcc 0
45 mol 259 unq 0 iso 1 dist 6.23661 8.84648 8.0048 9.28024 11.169 6.12744 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 6.1905 5.84792 4.99426 3.93401 5.36842 3.08474 numMergedOcc 0
47 mol 292 unq 0 iso 1 dist 5.84792 6.1905 4.99426 3.93401 3.08474 5.36842 numMergedOcc 0
48 mol 292 unq 1 iso 0 dist 6.1905 8.73515 8.21724 3.93401 5.36842 6.12546 numMergedOcc 0
49 mol 292 unq 1 iso 1 dist 8.73515 6.1905 8.21724 3.93401 6.12546 5.36842 numMergedOcc 0
50 mol 292 unq 1 iso 0 dist 5.84792 8.73515 3.57128 3.93401 3.08474 6.12546 numMergedOcc 0
51 mol 292 unq 1 iso 1 dist 8.73515 5.84792 3.57128 3.93401 6.12546 3.08474 numMergedOcc 0
