0 mol 20 unq 0 iso 0 dist 6.30355 9.4232 7.55864 13.4715 8.65986 7.10314 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.30355 9.4232 7.55864 12.9639 9.39462 7.32361 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.02975 9.4232 9.33568 13.4715 9.74724 7.10314 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.02975 9.4232 9.33568 12.9639 9.13347 7.32361 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 7.64064 5.51816 7.56095 5.44908 7.49391 4.656 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 8.52826 8.53816 8.9136 10.9344 8.47637 15.1121 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 5.77889 7.09667 8.6092 3.88746 7.15043 4.5933 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 5.77889 7.09667 8.6092 3.3881 5.70283 9.48254 numMergedOcc 0
8 mol 81 unq 2 iso 0 dist 8.22976 12.1659 8.6092 7.86537 7.15043 4.5933 numMergedOcc 0
9 mol 81 unq 3 iso 0 dist 8.22976 12.1659 8.6092 3.93741 5.70283 9.48254 numMergedOcc 0
10 mol 81 unq 4 iso 0 dist 6.91587 13.9016 8.82476 3.88746 5.86142 12.0373 numMergedOcc 0
11 mol 81 unq 5 iso 0 dist 6.91587 13.9016 8.82476 3.3881 7.16741 12.2335 numMergedOcc 0
12 mol 81 unq 6 iso 0 dist 6.91587 12.5083 9.78923 3.88746 5.86142 8.68729 numMergedOcc 0
13 mol 81 unq 7 iso 0 dist 6.91587 12.5083 9.78923 3.3881 7.16741 12.939 numMergedOcc 0
14 mol 81 unq 8 iso 0 dist 6.91587 7.09667 6.38981 3.88746 5.86142 4.5933 numMergedOcc 0
15 mol 81 unq 9 iso 0 dist 6.91587 7.09667 6.38981 3.3881 7.16741 9.48254 numMergedOcc 0
16 mol 81 unq 10 iso 0 dist 8.9512 10.6966 8.82476 7.86537 5.86142 12.0373 numMergedOcc 0
17 mol 81 unq 11 iso 0 dist 8.9512 10.6966 8.82476 3.93741 7.16741 12.2335 numMergedOcc 0
18 mol 81 unq 12 iso 0 dist 8.9512 13.1407 9.78923 7.86537 5.86142 8.68729 numMergedOcc 0
19 mol 81 unq 13 iso 0 dist 8.9512 13.1407 9.78923 3.93741 7.16741 12.939 numMergedOcc 0
20 mol 81 unq 14 iso 0 dist 8.9512 12.1659 6.38981 7.86537 5.86142 4.5933 numMergedOcc 0
21 mol 81 unq 15 iso 0 dist 8.9512 12.1659 6.38981 3.93741 7.16741 9.48254 numMergedOcc 0
22 mol 124 unq 0 iso 0 dist 5.03702 5.20574 7.46623 6.49874 9.0745 3.75669 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 6.98057 9.41416 6.48738 6.46148 4.70342 3.82773 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 6.98057 9.41416 6.48738 14.5965 8.23543 9.09917 numMergedOcc 0
25 mol 196 unq 0 iso 0 dist 5.66536 11.0772 9.03055 11.1258 9.96986 4.69935 numMergedOcc 0
26 mol 196 unq 1 iso 0 dist 6.55775 7.71979 9.03055 5.29582 9.96986 4.69935 numMergedOcc 0
27 mol 197 unq 0 iso 0 dist 7.36576 4.31461 8.8252 14.8544 9.10527 17.4703 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 8.34886 11.7742 8.78286 12.5477 9.41473 5.30972 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 8.13651 7.76381 9.75866 7.65595 8.86142 6.57478 numMergedOcc 0
30 mol 257 unq 1 iso 0 dist 7.70445 6.91217 9.75866 3.41163 8.86142 6.57478 numMergedOcc 0
31 mol 261 unq 0 iso 0 dist 7.64813 8.52263 9.17214 4.0358 9.39727 12.0622 numMergedOcc 0
32 mol 261 unq 1 iso 0 dist 7.64813 9.90136 9.6169 4.0358 9.39727 7.32689 numMergedOcc 0
