0 mol 32 unq 0 iso 0 dist 5.07106 5.22512 8.22628 8.93403 9.82819 8.62801 numMergedOcc 0
1 mol 32 unq 0 iso 1 dist 5.07106 8.93403 9.82819 5.22512 8.22628 8.62801 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 5.55798 4.95654 7.82966 10.0025 8.26763 7.00818 numMergedOcc 0
3 mol 79 unq 0 iso 1 dist 5.55798 10.0025 8.26763 4.95654 7.82966 7.00818 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 5.55798 4.95654 7.82966 6.35003 6.30814 5.16215 numMergedOcc 0
5 mol 79 unq 1 iso 1 dist 5.55798 6.35003 6.30814 4.95654 7.82966 5.16215 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 5.55798 4.95654 7.82966 3.45432 7.318 8.14284 numMergedOcc 0
7 mol 79 unq 2 iso 1 dist 5.55798 3.45432 7.318 4.95654 7.82966 8.14284 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 5.55798 10.0025 8.26763 6.35003 6.30814 6.48468 numMergedOcc 0
9 mol 79 unq 1 iso 1 dist 5.55798 6.35003 6.30814 10.0025 8.26763 6.48468 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 5.55798 10.0025 8.26763 3.45432 7.318 13.1821 numMergedOcc 0
11 mol 79 unq 2 iso 1 dist 5.55798 3.45432 7.318 10.0025 8.26763 13.1821 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 5.55798 6.35003 6.30814 3.45432 7.318 9.61175 numMergedOcc 0
13 mol 79 unq 2 iso 1 dist 5.55798 3.45432 7.318 6.35003 6.30814 9.61175 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 6.77845 11.6894 7.93119 6.51558 5.25361 11.3922 numMergedOcc 0
15 mol 83 unq 0 iso 1 dist 6.77845 6.51558 5.25361 11.6894 7.93119 11.3922 numMergedOcc 0
16 mol 83 unq 1 iso 0 dist 5.48555 10.6214 7.93119 9.07479 5.25361 11.3922 numMergedOcc 0
17 mol 83 unq 1 iso 1 dist 5.48555 9.07479 5.25361 10.6214 7.93119 11.3922 numMergedOcc 0
18 mol 83 unq 2 iso 0 dist 5.39805 6.23042 7.93119 7.0157 5.25361 11.3922 numMergedOcc 0
19 mol 83 unq 2 iso 1 dist 5.39805 7.0157 5.25361 6.23042 7.93119 11.3922 numMergedOcc 0
20 mol 157 unq 0 iso 0 dist 8.78412 12.5289 6.07906 11.4935 8.72717 5.28985 numMergedOcc 0
21 mol 157 unq 0 iso 1 dist 8.78412 11.4935 8.72717 12.5289 6.07906 5.28985 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 8.80952 6.34731 7.68074 15.1374 9.1854 10.0033 numMergedOcc 0
23 mol 158 unq 0 iso 1 dist 8.80952 15.1374 9.1854 6.34731 7.68074 10.0033 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 5.60956 9.43003 8.18217 8.01699 5.51167 13.6611 numMergedOcc 0
25 mol 168 unq 0 iso 1 dist 5.60956 8.01699 5.51167 9.43003 8.18217 13.6611 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 8.25609 3.81315 7.49971 9.53633 9.07427 7.99098 numMergedOcc 0
27 mol 192 unq 0 iso 1 dist 8.25609 9.53633 9.07427 3.81315 7.49971 7.99098 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 9.35664 14.1853 9.20541 6.61517 6.65077 10.558 numMergedOcc 0
29 mol 195 unq 0 iso 1 dist 9.35664 6.61517 6.65077 14.1853 9.20541 10.558 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 4.87053 4.91709 7.99441 5.96186 6.71817 3.58181 numMergedOcc 0
31 mol 222 unq 0 iso 1 dist 4.87053 5.96186 6.71817 4.91709 7.99441 3.58181 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 4.87053 4.91709 7.99441 9.55743 8.41524 8.23638 numMergedOcc 0
33 mol 222 unq 1 iso 1 dist 4.87053 9.55743 8.41524 4.91709 7.99441 8.23638 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 4.87053 5.96186 6.71817 9.55743 8.41524 4.79329 numMergedOcc 0
35 mol 222 unq 1 iso 1 dist 4.87053 9.55743 8.41524 5.96186 6.71817 4.79329 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 9.16172 9.53624 8.49945 5.02324 9.68415 8.36111 numMergedOcc 0
37 mol 279 unq 0 iso 1 dist 9.16172 5.02324 9.68415 9.53624 8.49945 8.36111 numMergedOcc 0
38 mol 283 unq 0 iso 0 dist 5.90728 5.14231 5.32876 4.25884 7.60296 3.46787 numMergedOcc 0
39 mol 283 unq 0 iso 1 dist 5.90728 4.25884 7.60296 5.14231 5.32876 3.46787 numMergedOcc 0
