0 mol 21 unq 0 iso 0 dist 7.48808 7.01513 7.08873 4.0454 10.4972 7.05407 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 9.23015 5.63212 8.97282 11.037 8.07318 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 9.23015 5.63212 4.54526 4.79873 7.44277 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.15015 8.3224 9.67807 10.0107 14.1018 7.27243 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 7.15015 8.3224 9.67807 8.43217 12.3093 8.23784 numMergedOcc 0
5 mol 30 unq 2 iso 0 dist 3.68549 8.3224 6.54878 10.0107 10.9602 7.27243 numMergedOcc 0
6 mol 30 unq 3 iso 0 dist 3.68549 8.3224 6.54878 8.43217 10.1227 8.23784 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 8.36524 5.39587 4.55481 10.0272 7.18022 7.01952 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 8.36524 5.39587 4.55481 6.65242 6.24711 4.58552 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 14.5833 10.0168 8.34145 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 5.84326 7.07124 6.15355 12.3961 14.0014 9.47401 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 5.9651 6.09085 7.50975 10.6564 12.0495 5.7369 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 8.85873 7.02228 6.13636 10.8883 5.51831 8.05579 numMergedOcc 0
13 mol 89 unq 1 iso 0 dist 7.3606 7.02228 4.16955 10.8883 10.9748 8.05579 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 9.26438 6.62354 5.00433 7.53887 7.07971 9.09348 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 6.43255 8.00085 5.00433 7.83378 7.07971 9.09348 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 6.16219 12.6348 9.47049 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.31276 7.96353 15.3018 6.67639 9.10524 8.14226 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 8.31276 7.96353 15.3018 4.4987 10.6728 5.78982 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.42271 6.14652 12.3479 11.6261 11.988 8.62504 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 5.79157 7.96353 10.7951 6.67639 12.1179 8.14226 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 5.79157 7.96353 10.7951 4.4987 9.71716 5.78982 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 5.50687 7.96353 5.4761 6.67639 9.69086 8.14226 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 5.50687 7.96353 5.4761 4.4987 5.35237 5.78982 numMergedOcc 0
24 mol 134 unq 7 iso 0 dist 7.30919 7.96353 5.03507 6.67639 9.00918 8.14226 numMergedOcc 0
25 mol 134 unq 8 iso 0 dist 7.30919 7.96353 5.03507 4.4987 7.99477 5.78982 numMergedOcc 0
26 mol 162 unq 0 iso 0 dist 5.21803 9.71155 5.65603 4.6728 7.37333 9.43904 numMergedOcc 0
27 mol 162 unq 1 iso 0 dist 5.21803 9.71155 5.65603 7.06734 7.45998 7.01095 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 9.52413 8.9388 15.4336 4.68208 11.3216 8.5672 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 6.0639 8.95209 11.6282 13.1688 18.0351 8.36129 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 6.0639 8.95209 11.6282 12.4508 16.7149 5.86483 numMergedOcc 0
31 mol 186 unq 3 iso 0 dist 6.91355 8.95209 10.5033 13.1688 16.8253 8.36129 numMergedOcc 0
32 mol 186 unq 4 iso 0 dist 6.91355 8.95209 10.5033 12.4508 14.7748 5.86483 numMergedOcc 0
33 mol 195 unq 0 iso 0 dist 4.78641 6.27266 5.41635 4.7754 8.9507 8.22795 numMergedOcc 0
34 mol 206 unq 0 iso 0 dist 5.82039 9.36144 7.89575 10.9033 14.3439 9.95026 numMergedOcc 0
35 mol 206 unq 1 iso 0 dist 5.82039 9.36144 7.89575 11.622 13.9709 9.09594 numMergedOcc 0
36 mol 206 unq 2 iso 0 dist 6.22964 9.36144 5.14674 10.9033 9.21377 9.95026 numMergedOcc 0
37 mol 206 unq 3 iso 0 dist 6.22964 9.36144 5.14674 11.622 10.2649 9.09594 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 9.43611 5.56977 8.48942 10.4985 16.9119 9.43017 numMergedOcc 0
39 mol 217 unq 0 iso 0 dist 7.58097 8.28155 13.7271 12.1239 19.2421 9.37602 numMergedOcc 0
40 mol 217 unq 1 iso 0 dist 7.58097 8.28155 13.7271 9.1242 16.3557 8.26522 numMergedOcc 0
41 mol 236 unq 0 iso 0 dist 8.95071 5.9625 10.5937 4.51728 10.0129 8.93212 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 7.151 9.22453 11.2997 10.3171 9.57499 7.16209 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 7.151 9.22453 11.2997 10.6814 11.4389 4.62936 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 8.53324 9.22453 4.40029 10.3171 5.46926 7.16209 numMergedOcc 0
45 mol 277 unq 3 iso 0 dist 8.53324 9.22453 4.40029 10.6814 5.13913 4.62936 numMergedOcc 0
46 mol 277 unq 4 iso 0 dist 7.23956 9.22453 3.97543 10.3171 8.9682 7.16209 numMergedOcc 0
47 mol 277 unq 5 iso 0 dist 7.23956 9.22453 3.97543 10.6814 6.92711 4.62936 numMergedOcc 0
