0 mol 9 unq 0 iso 0 dist 9.93613 9.03359 8.04924 13.0231 3.98483 8.47421 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.99711 11.6572 8.22285 10.1367 7.51034 9.87449 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.85591 5.88467 9.25649 14.6855 15.2834 8.82012 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.85591 5.88467 9.25649 10.2329 17.7956 9.16962 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 9.67576 5.88467 9.36104 14.6855 14.0729 8.82012 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 9.67576 5.88467 9.36104 10.2329 15.23 9.16962 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 6.12212 11.6261 8.19733 17.3088 11.962 7.33969 numMergedOcc 0
7 mol 74 unq 0 iso 0 dist 9.43699 10.1834 4.79413 11.1604 4.79817 8.96501 numMergedOcc 0
8 mol 74 unq 1 iso 0 dist 5.23115 3.94075 4.79413 9.99155 4.79817 8.96501 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 7.86269 4.97513 7.54496 5.9179 8.89062 8.39016 numMergedOcc 0
10 mol 90 unq 1 iso 0 dist 7.86269 4.97513 7.54496 9.34782 10.1287 6.99355 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.62584 4.9574 6.42785 8.83115 7.55374 6.79146 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 7.62584 4.9574 6.42785 11.9024 11.576 7.66168 numMergedOcc 0
13 mol 130 unq 2 iso 0 dist 7.62584 4.9574 6.42785 10.9469 5.97111 6.89257 numMergedOcc 0
14 mol 130 unq 3 iso 0 dist 7.39532 6.53156 6.42785 10.792 7.55374 6.79146 numMergedOcc 0
15 mol 130 unq 4 iso 0 dist 7.39532 6.53156 6.42785 9.72083 11.576 7.66168 numMergedOcc 0
16 mol 130 unq 5 iso 0 dist 7.39532 6.53156 6.42785 5.49877 5.97111 6.89257 numMergedOcc 0
17 mol 130 unq 6 iso 0 dist 6.62468 6.53156 6.82089 10.792 9.44878 6.79146 numMergedOcc 0
18 mol 130 unq 7 iso 0 dist 6.62468 6.53156 6.82089 9.72083 4.28797 7.66168 numMergedOcc 0
19 mol 130 unq 8 iso 0 dist 6.62468 6.53156 6.82089 5.49877 6.97875 6.89257 numMergedOcc 0
20 mol 130 unq 9 iso 0 dist 6.62468 4.72188 5.38314 9.72083 4.28797 9.12581 numMergedOcc 0
21 mol 130 unq 10 iso 0 dist 6.62468 4.72188 5.38314 5.49877 6.97875 8.74308 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.34386 5.80615 9.4062 5.86531 8.6769 7.92688 numMergedOcc 0
23 mol 140 unq 0 iso 0 dist 8.73523 6.63467 8.06396 13.3811 11.5685 8.19104 numMergedOcc 0
24 mol 140 unq 1 iso 0 dist 7.85653 6.63467 8.01587 13.3811 8.83949 8.19104 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 6.4752 4.47436 7.01133 10.7523 12.6979 8.33261 numMergedOcc 0
26 mol 163 unq 0 iso 0 dist 8.12896 4.06532 5.92747 11.6669 3.89889 9.19209 numMergedOcc 0
27 mol 163 unq 1 iso 0 dist 8.88092 5.93645 5.92747 10.1012 3.89889 9.19209 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 9.12296 10.3187 7.01126 19.466 13.9336 9.31887 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 9.91705 6.24616 5.49808 12.06 9.92777 7.98142 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 9.91705 12.5567 7.96291 12.06 9.92777 7.37327 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 7.92476 5.56759 5.49808 10.5756 9.92777 7.98142 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 7.92476 4.43465 7.96291 10.5756 9.92777 7.37327 numMergedOcc 0
33 mol 213 unq 0 iso 0 dist 8.91912 6.58235 7.37935 7.88794 5.84474 4.26212 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 9.86462 6.34706 6.23898 12.8226 5.282 7.18041 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.81373 6.0331 7.18771 11.4812 5.66732 7.39747 numMergedOcc 0
36 mol 239 unq 1 iso 0 dist 8.81373 4.9045 7.94894 11.4812 5.66732 8.1777 numMergedOcc 0
37 mol 243 unq 0 iso 0 dist 5.66593 4.12468 6.01071 10.8489 6.34358 8.61104 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 5.22349 7.31906 6.57207 13.1438 9.32326 7.66365 numMergedOcc 0
39 mol 252 unq 1 iso 0 dist 9.81593 7.31906 5.2361 13.1438 5.89666 7.66365 numMergedOcc 0
40 mol 252 unq 2 iso 0 dist 9.78248 12.8039 5.2361 12.98 5.89666 7.66365 numMergedOcc 0
41 mol 272 unq 0 iso 0 dist 8.36282 10.5255 7.55161 12.3257 4.86504 6.16449 numMergedOcc 0
