0 mol 85 unq 0 iso 0 dist 7.61514 8.21116 2.58673 5.40682 6.56288 5.97559 numMergedOcc 0
1 mol 85 unq 1 iso 0 dist 8.21116 7.61514 2.58673 5.40682 5.97559 6.56288 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 6.06155 8.345 3.41944 4.54745 8.2702 10.5259 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 6.38269 7.11196 2.75715 13.5639 9.44 8.47634 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 7.11196 6.38269 2.75715 13.5639 8.47634 9.44 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 8.31527 7.64841 5.26524 10.7979 5.56598 9.65403 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 8.31527 7.64841 5.26524 6.76794 5.39792 8.44206 numMergedOcc 0
7 mol 120 unq 2 iso 0 dist 8.31527 7.64841 5.26524 5.49859 7.00542 9.78884 numMergedOcc 0
8 mol 120 unq 3 iso 0 dist 7.64841 8.31527 5.26524 6.76794 8.44206 5.39792 numMergedOcc 0
9 mol 120 unq 4 iso 0 dist 7.64841 8.31527 5.26524 5.49859 9.78884 7.00542 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 5.5917 5.24806 3.11116 4.81238 8.42277 6.26653 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 5.24806 5.5917 3.11116 4.81238 6.26653 8.42277 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 5.23992 7.91974 3.00778 9.95833 9.81187 9.71347 numMergedOcc 0
13 mol 176 unq 1 iso 0 dist 5.23992 7.91974 3.00778 3.97723 4.67031 6.20326 numMergedOcc 0
14 mol 176 unq 2 iso 0 dist 5.23992 7.91974 3.00778 6.09521 9.49412 10.9826 numMergedOcc 0
15 mol 176 unq 3 iso 0 dist 5.23992 9.1617 5.3861 9.95833 9.81187 8.77405 numMergedOcc 0
16 mol 176 unq 4 iso 0 dist 5.23992 9.1617 5.3861 3.97723 4.67031 6.8243 numMergedOcc 0
17 mol 176 unq 5 iso 0 dist 5.23992 9.1617 5.3861 6.09521 9.49412 11.8005 numMergedOcc 0
18 mol 176 unq 6 iso 0 dist 7.91974 5.23992 3.00778 9.95833 9.71347 9.81187 numMergedOcc 0
19 mol 176 unq 7 iso 0 dist 7.91974 5.23992 3.00778 3.97723 6.20326 4.67031 numMergedOcc 0
20 mol 176 unq 8 iso 0 dist 7.91974 9.1617 5.04828 9.95833 9.71347 8.77405 numMergedOcc 0
21 mol 176 unq 9 iso 0 dist 7.91974 9.1617 5.04828 3.97723 6.20326 6.8243 numMergedOcc 0
22 mol 176 unq 10 iso 0 dist 9.1617 5.23992 5.3861 9.95833 8.77405 9.81187 numMergedOcc 0
23 mol 176 unq 11 iso 0 dist 9.1617 5.23992 5.3861 3.97723 6.8243 4.67031 numMergedOcc 0
24 mol 176 unq 12 iso 0 dist 9.1617 7.91974 5.04828 9.95833 8.77405 9.71347 numMergedOcc 0
25 mol 176 unq 13 iso 0 dist 9.1617 7.91974 5.04828 3.97723 6.8243 6.20326 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 8.10451 6.6747 3.78714 10.3249 4.55528 4.42095 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 8.10451 6.6747 3.78714 6.55814 6.88386 4.63898 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 6.6747 8.10451 3.78714 10.3249 4.42095 4.55528 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 6.6747 8.10451 3.78714 6.55814 4.63898 6.88386 numMergedOcc 0
30 mol 194 unq 4 iso 0 dist 6.6747 8.10451 3.78714 14.9692 9.53641 11.9425 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 9.05194 9.02526 2.95376 14.9602 9.05879 10.354 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 9.05194 9.02526 2.95376 5.495 6.67548 5.57579 numMergedOcc 0
33 mol 264 unq 2 iso 0 dist 9.02526 9.05194 2.95376 5.495 5.57579 6.67548 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.03099 6.9943 8.75066 12.1152 7.43884 14.7906 numMergedOcc 0
35 mol 266 unq 1 iso 0 dist 9.03099 7.36685 3.00605 12.1152 7.43884 9.82944 numMergedOcc 0
36 mol 281 unq 0 iso 0 dist 8.78416 9.22428 3.77058 4.88562 9.05453 10.9079 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 6.82335 7.33086 4.76434 11.0879 8.81999 10.992 numMergedOcc 0
38 mol 294 unq 1 iso 0 dist 6.82335 7.88971 10.769 11.0879 8.81999 13.9409 numMergedOcc 0
39 mol 294 unq 2 iso 0 dist 9.14005 9.32126 4.76434 14.7951 8.81999 10.992 numMergedOcc 0
40 mol 294 unq 3 iso 0 dist 9.14005 9.38111 10.769 14.7951 8.81999 13.9409 numMergedOcc 0
