0 mol 55 unq 0 iso 0 dist 8.61209 7.37244 8.71074 9.2397 6.77823 4.97794 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.68381 6.50646 7.7624 9.57292 11.0735 4.4417 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.40399 8.21723 9.3324 6.29267 7.3779 8.33013 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 8.40399 8.21723 9.3324 9.64361 6.08409 4.96316 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 8.36172 7.67702 11.3462 7.59747 6.88119 7.32685 numMergedOcc 0
5 mol 185 unq 0 iso 0 dist 7.5578 9.20346 5.79003 8.60009 3.15736 6.6815 numMergedOcc 0
6 mol 185 unq 1 iso 0 dist 6.06763 9.20346 10.576 8.60009 5.80135 6.6815 numMergedOcc 0
7 mol 196 unq 0 iso 0 dist 8.78916 8.62618 3.60144 8.32524 3.56238 6.74969 numMergedOcc 0
8 mol 233 unq 0 iso 0 dist 6.01193 9.99681 6.04517 6.45095 8.15592 12.9722 numMergedOcc 0
9 mol 233 unq 1 iso 0 dist 9.49046 8.31695 9.75072 8.7499 10.934 7.07475 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 8.92585 6.86905 14.946 9.31268 15.7821 4.51854 numMergedOcc 0
11 mol 254 unq 0 iso 0 dist 6.74048 7.80528 5.24816 8.46816 3.67192 7.04725 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 9.8678 6.55208 4.98576 9.2684 9.75276 10.1478 numMergedOcc 0
13 mol 266 unq 1 iso 0 dist 8.00278 6.55208 4.0473 9.2684 12.1799 10.1478 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 9.37044 4.28058 5.26936 8.4625 9.99481 7.24849 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 9.37044 4.28058 5.26936 8.4625 9.99481 7.24849 numMergedOcc 0
16 mol 289 unq 0 iso 0 dist 9.37044 4.28058 5.26936 8.4625 9.99481 7.24849 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 8.74181 7.71392 14.4135 8.81999 4.93923 12.2834 numMergedOcc 0
18 mol 294 unq 1 iso 0 dist 8.74181 7.71392 14.4135 4.83062 10.0659 9.89492 numMergedOcc 0
19 mol 294 unq 2 iso 0 dist 8.74181 7.71392 14.4135 5.18334 12.3645 5.71856 numMergedOcc 0
20 mol 294 unq 3 iso 0 dist 8.74181 5.02677 8.04862 8.81999 4.93923 5.33113 numMergedOcc 0
21 mol 294 unq 4 iso 0 dist 8.74181 5.02677 8.04862 4.83062 10.0659 9.32362 numMergedOcc 0
22 mol 294 unq 5 iso 0 dist 8.74181 5.02677 8.04862 5.18334 12.3645 8.52592 numMergedOcc 0
23 mol 294 unq 6 iso 0 dist 8.74181 7.6859 14.4859 8.81999 4.93923 15.8342 numMergedOcc 0
24 mol 294 unq 7 iso 0 dist 8.74181 7.6859 14.4859 4.83062 10.0659 4.45227 numMergedOcc 0
25 mol 294 unq 8 iso 0 dist 8.74181 7.6859 14.4859 5.18334 12.3645 4.99494 numMergedOcc 0
26 mol 294 unq 9 iso 0 dist 8.96987 7.71392 15.5959 8.81999 10.6017 12.2834 numMergedOcc 0
27 mol 294 unq 10 iso 0 dist 8.96987 7.71392 15.5959 4.83062 7.2873 9.89492 numMergedOcc 0
28 mol 294 unq 11 iso 0 dist 8.96987 7.71392 15.5959 5.18334 11.3568 5.71856 numMergedOcc 0
29 mol 294 unq 12 iso 0 dist 8.96987 5.02677 11.4159 8.81999 10.6017 5.33113 numMergedOcc 0
30 mol 294 unq 13 iso 0 dist 8.96987 5.02677 11.4159 4.83062 7.2873 9.32362 numMergedOcc 0
31 mol 294 unq 14 iso 0 dist 8.96987 5.02677 11.4159 5.18334 11.3568 8.52592 numMergedOcc 0
32 mol 294 unq 15 iso 0 dist 8.96987 7.6859 11.2968 8.81999 10.6017 15.8342 numMergedOcc 0
33 mol 294 unq 16 iso 0 dist 8.96987 7.6859 11.2968 4.83062 7.2873 4.45227 numMergedOcc 0
34 mol 294 unq 17 iso 0 dist 8.96987 7.6859 11.2968 5.18334 11.3568 4.99494 numMergedOcc 0
