0 mol 79 unq 0 iso 0 dist 9.94133 4.39945 9.64361 10.234 9.02602 6.29267 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 7.61514 5.40682 6.56288 8.21116 2.58673 5.97559 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 8.21116 5.40682 5.97559 7.61514 2.58673 6.56288 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 6.06155 4.54745 8.2702 10.7186 9.47916 8.23294 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 6.38269 13.5639 9.44 7.11196 2.75715 8.47634 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 7.11196 13.5639 8.47634 6.38269 2.75715 9.44 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.31527 6.76794 5.39792 7.64841 5.26524 8.44206 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 8.31527 5.49859 7.00542 7.64841 5.26524 9.78884 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 7.64841 6.76794 8.44206 8.31527 5.26524 5.39792 numMergedOcc 0
9 mol 120 unq 3 iso 0 dist 7.64841 5.49859 9.78884 8.31527 5.26524 7.00542 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 7.49032 9.0296 8.35926 14.9057 10.2185 8.09682 numMergedOcc 0
11 mol 123 unq 1 iso 0 dist 7.49032 9.0296 8.35926 15.9261 13.0033 7.41568 numMergedOcc 0
12 mol 123 unq 2 iso 0 dist 7.04627 6.33531 8.35926 11.7928 10.2185 8.09682 numMergedOcc 0
13 mol 123 unq 3 iso 0 dist 7.04627 6.33531 8.35926 13.6512 13.0033 7.41568 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 9.91021 8.63314 8.42277 10.2314 3.11116 6.26653 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 5.5917 4.81238 8.42277 5.24806 3.11116 6.26653 numMergedOcc 0
16 mol 129 unq 2 iso 0 dist 5.24806 4.81238 6.26653 5.5917 3.11116 8.42277 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 5.23992 9.95833 9.81187 7.91974 3.00778 9.71347 numMergedOcc 0
18 mol 176 unq 1 iso 0 dist 5.23992 9.95833 9.81187 9.1617 5.3861 8.77405 numMergedOcc 0
19 mol 176 unq 2 iso 0 dist 5.23992 9.95833 9.81187 12.0065 8.21185 8.5107 numMergedOcc 0
20 mol 176 unq 3 iso 0 dist 5.23992 3.97723 4.67031 7.91974 3.00778 6.20326 numMergedOcc 0
21 mol 176 unq 4 iso 0 dist 5.23992 3.97723 4.67031 10.5723 8.45723 8.98043 numMergedOcc 0
22 mol 176 unq 5 iso 0 dist 5.23992 3.97723 4.67031 9.1617 5.3861 6.8243 numMergedOcc 0
23 mol 176 unq 6 iso 0 dist 5.23992 3.97723 4.67031 12.0065 8.21185 8.90797 numMergedOcc 0
24 mol 176 unq 7 iso 0 dist 7.91974 9.95833 9.71347 5.23992 3.00778 9.81187 numMergedOcc 0
25 mol 176 unq 8 iso 0 dist 7.91974 9.95833 9.71347 9.1617 5.04828 8.77405 numMergedOcc 0
26 mol 176 unq 9 iso 0 dist 7.91974 9.95833 9.71347 12.0065 6.79616 8.5107 numMergedOcc 0
27 mol 176 unq 10 iso 0 dist 7.91974 3.97723 6.20326 5.23992 3.00778 4.67031 numMergedOcc 0
28 mol 176 unq 11 iso 0 dist 7.91974 3.97723 6.20326 10.5723 9.21089 8.98043 numMergedOcc 0
29 mol 176 unq 12 iso 0 dist 7.91974 3.97723 6.20326 9.1617 5.04828 6.8243 numMergedOcc 0
30 mol 176 unq 13 iso 0 dist 7.91974 3.97723 6.20326 12.0065 6.79616 8.90797 numMergedOcc 0
31 mol 176 unq 14 iso 0 dist 9.1617 9.95833 8.77405 5.23992 5.3861 9.81187 numMergedOcc 0
32 mol 176 unq 15 iso 0 dist 9.1617 9.95833 8.77405 7.91974 5.04828 9.71347 numMergedOcc 0
33 mol 176 unq 16 iso 0 dist 9.1617 9.95833 8.77405 12.0065 3.47516 8.5107 numMergedOcc 0
34 mol 176 unq 17 iso 0 dist 9.1617 3.97723 6.8243 5.23992 5.3861 4.67031 numMergedOcc 0
35 mol 176 unq 18 iso 0 dist 9.1617 3.97723 6.8243 7.91974 5.04828 6.20326 numMergedOcc 0
36 mol 176 unq 19 iso 0 dist 9.1617 3.97723 6.8243 10.5723 4.47711 8.98043 numMergedOcc 0
37 mol 176 unq 20 iso 0 dist 9.1617 3.97723 6.8243 12.0065 3.47516 8.90797 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 9.3032 10.4172 4.55528 12.7181 3.78714 4.42095 numMergedOcc 0
39 mol 194 unq 1 iso 0 dist 9.3032 13.6082 6.88386 12.7181 3.78714 4.63898 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 8.10451 10.3249 4.55528 6.6747 3.78714 4.42095 numMergedOcc 0
41 mol 194 unq 3 iso 0 dist 8.10451 6.55814 6.88386 6.6747 3.78714 4.63898 numMergedOcc 0
42 mol 194 unq 4 iso 0 dist 6.6747 10.3249 4.42095 8.10451 3.78714 4.55528 numMergedOcc 0
43 mol 194 unq 5 iso 0 dist 6.6747 6.55814 4.63898 8.10451 3.78714 6.88386 numMergedOcc 0
44 mol 194 unq 6 iso 0 dist 6.28412 6.65382 4.42095 9.07241 3.78714 4.55528 numMergedOcc 0
45 mol 194 unq 7 iso 0 dist 6.28412 8.25387 4.63898 9.07241 3.78714 6.88386 numMergedOcc 0
46 mol 212 unq 0 iso 0 dist 9.67805 6.70623 8.4285 11.3706 3.62594 8.13391 numMergedOcc 0
47 mol 225 unq 0 iso 0 dist 7.22151 4.40718 5.65735 12.073 8.44761 8.52735 numMergedOcc 0
48 mol 239 unq 0 iso 0 dist 9.76929 7.66679 7.45508 12.1743 12.7924 5.79883 numMergedOcc 0
49 mol 264 unq 0 iso 0 dist 9.05194 5.495 6.67548 9.02526 2.95376 5.57579 numMergedOcc 0
50 mol 264 unq 1 iso 0 dist 9.02526 5.495 5.57579 9.05194 2.95376 6.67548 numMergedOcc 0
51 mol 294 unq 0 iso 0 dist 6.82335 11.0879 8.81999 15.5588 11.8335 4.83062 numMergedOcc 0
52 mol 294 unq 1 iso 0 dist 6.82335 11.0879 8.81999 14.5638 12.3466 5.18334 numMergedOcc 0
53 mol 294 unq 2 iso 0 dist 9.14005 14.7951 8.81999 19.1939 11.8335 4.83062 numMergedOcc 0
54 mol 294 unq 3 iso 0 dist 9.14005 14.7951 8.81999 18.3632 12.3466 5.18334 numMergedOcc 0
