0 mol 15 unq 0 iso 0 dist 7.26175 9.21064 7.876 12.7107 8.63502 5.17568 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.26175 12.7107 8.63502 9.21064 7.876 5.17568 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 8.0277 12.2677 7.876 14.538 8.63502 5.17568 numMergedOcc 0
3 mol 15 unq 1 iso 1 dist 8.0277 14.538 8.63502 12.2677 7.876 5.17568 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 6.24584 10.8297 8.83766 10.8824 7.27268 5.5577 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 6.24584 10.8824 7.27268 10.8297 8.83766 5.5577 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 5.4118 6.58841 8.83766 7.19972 7.27268 5.5577 numMergedOcc 0
7 mol 30 unq 1 iso 1 dist 5.4118 7.19972 7.27268 6.58841 8.83766 5.5577 numMergedOcc 0
8 mol 30 unq 2 iso 0 dist 8.27354 11.7788 8.83766 10.0473 7.27268 5.5577 numMergedOcc 0
9 mol 30 unq 2 iso 1 dist 8.27354 10.0473 7.27268 11.7788 8.83766 5.5577 numMergedOcc 0
10 mol 30 unq 3 iso 0 dist 6.71385 9.08135 5.61656 9.20502 8.67487 5.03351 numMergedOcc 0
11 mol 30 unq 3 iso 1 dist 6.71385 9.20502 8.67487 9.08135 5.61656 5.03351 numMergedOcc 0
12 mol 30 unq 4 iso 0 dist 6.71385 9.08135 5.61656 11.8112 6.95343 5.34368 numMergedOcc 0
13 mol 30 unq 4 iso 1 dist 6.71385 11.8112 6.95343 9.08135 5.61656 5.34368 numMergedOcc 0
14 mol 30 unq 4 iso 0 dist 6.71385 9.20502 8.67487 11.8112 6.95343 6.89466 numMergedOcc 0
15 mol 30 unq 4 iso 1 dist 6.71385 11.8112 6.95343 9.20502 8.67487 6.89466 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.31828 10.8225 9.30021 4.53858 5.62635 6.9948 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 6.31828 4.53858 5.62635 10.8225 9.30021 6.9948 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 9.89866 11.8894 7.48658 6.66303 7.20279 9.35561 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 9.89866 6.66303 7.20279 11.8894 7.48658 9.35561 numMergedOcc 0
20 mol 110 unq 0 iso 0 dist 9.76432 9.65513 9.11812 5.21847 6.78225 5.00116 numMergedOcc 0
21 mol 110 unq 0 iso 1 dist 9.76432 5.21847 6.78225 9.65513 9.11812 5.00116 numMergedOcc 0
22 mol 110 unq 1 iso 0 dist 9.76432 9.65513 9.11812 4.60073 6.2967 8.3284 numMergedOcc 0
23 mol 110 unq 1 iso 1 dist 9.76432 4.60073 6.2967 9.65513 9.11812 8.3284 numMergedOcc 0
24 mol 110 unq 1 iso 0 dist 9.76432 5.21847 6.78225 4.60073 6.2967 4.56913 numMergedOcc 0
25 mol 110 unq 1 iso 1 dist 9.76432 4.60073 6.2967 5.21847 6.78225 4.56913 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 8.64766 10.1226 8.29133 11.9309 8.96646 5.45334 numMergedOcc 0
27 mol 213 unq 0 iso 1 dist 8.64766 11.9309 8.96646 10.1226 8.29133 5.45334 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 9.54743 10.7578 7.77578 10.568 7.38552 7.9315 numMergedOcc 0
29 mol 229 unq 0 iso 1 dist 9.54743 10.568 7.38552 10.7578 7.77578 7.9315 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 6.79724 13.0264 7.21256 12.1241 7.71476 6.68485 numMergedOcc 0
31 mol 239 unq 0 iso 1 dist 6.79724 12.1241 7.71476 13.0264 7.21256 6.68485 numMergedOcc 0
32 mol 239 unq 1 iso 0 dist 8.07855 6.55542 5.45139 11.6411 8.10769 12.7454 numMergedOcc 0
33 mol 239 unq 1 iso 1 dist 8.07855 11.6411 8.10769 6.55542 5.45139 12.7454 numMergedOcc 0
34 mol 244 unq 0 iso 0 dist 9.8046 7.46801 7.27258 9.79733 5.29811 8.32749 numMergedOcc 0
35 mol 244 unq 0 iso 1 dist 9.8046 9.79733 5.29811 7.46801 7.27258 8.32749 numMergedOcc 0
36 mol 244 unq 1 iso 0 dist 6.69424 12.6668 7.27258 9.17618 5.29811 8.32749 numMergedOcc 0
37 mol 244 unq 1 iso 1 dist 6.69424 9.17618 5.29811 12.6668 7.27258 8.32749 numMergedOcc 0
38 mol 248 unq 0 iso 0 dist 7.53088 6.97887 9.12664 5.78576 6.51383 5.86196 numMergedOcc 0
39 mol 248 unq 0 iso 1 dist 7.53088 5.78576 6.51383 6.97887 9.12664 5.86196 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 7.55879 5.2836 8.29556 4.53426 8.47755 7.07277 numMergedOcc 0
41 mol 264 unq 0 iso 1 dist 7.55879 4.53426 8.47755 5.2836 8.29556 7.07277 numMergedOcc 0
