0 mol 10 unq 0 iso 0 dist 7.57901 5.76822 9.43029 7.97737 7.8329 9.80612 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.01993 6.14353 9.36924 16.0115 9.82851 15.8256 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.4436 6.34412 8.20298 11.639 9.02925 6.92307 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 8.4436 4.16606 6.13351 11.639 9.02925 7.52517 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 5.20528 4.78636 5.05893 6.53227 8.04853 3.65186 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 5.20528 4.78636 5.05893 3.93024 6.46549 5.41777 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 5.20528 7.24335 5.71866 6.53227 8.04853 7.00044 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 5.20528 7.24335 5.71866 3.93024 6.46549 5.85247 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.49444 9.55465 9.30645 6.04365 7.40338 9.59189 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 4.89256 6.15201 9.59437 5.43682 7.4442 8.54267 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.63085 13.1596 7.75314 7.75948 7.84546 6.95147 numMergedOcc 0
11 mol 135 unq 0 iso 0 dist 5.95344 11.4432 7.28318 5.87899 8.72359 12.1562 numMergedOcc 0
12 mol 135 unq 1 iso 0 dist 5.95344 11.4432 7.28318 10.9982 7.02963 5.83178 numMergedOcc 0
13 mol 135 unq 2 iso 0 dist 7.8687 11.8717 7.28318 11.0453 8.72359 12.1562 numMergedOcc 0
14 mol 135 unq 3 iso 0 dist 7.8687 11.8717 7.28318 8.95563 7.02963 5.83178 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 8.73563 11.9684 9.23136 6.43443 6.73137 11.2635 numMergedOcc 0
16 mol 146 unq 1 iso 0 dist 9.64915 9.15092 9.23136 10.5026 6.73137 11.2635 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 9.03552 12.1541 6.0859 6.399 7.85698 12.6492 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 9.03552 12.1541 6.0859 15.6919 8.75484 4.97137 numMergedOcc 0
19 mol 169 unq 2 iso 0 dist 9.03552 14.0696 6.05009 6.399 7.85698 13.7198 numMergedOcc 0
20 mol 169 unq 3 iso 0 dist 9.03552 14.0696 6.05009 15.6919 8.75484 3.33711 numMergedOcc 0
21 mol 169 unq 4 iso 0 dist 5.77897 12.1541 9.15283 3.61063 5.41121 13.5169 numMergedOcc 0
22 mol 169 unq 5 iso 0 dist 5.77897 12.1541 9.15283 6.399 6.35799 12.6492 numMergedOcc 0
23 mol 169 unq 6 iso 0 dist 8.59976 6.43144 6.0859 15.445 7.85698 12.6492 numMergedOcc 0
24 mol 169 unq 7 iso 0 dist 8.59976 6.43144 6.0859 4.8357 8.75484 4.97137 numMergedOcc 0
25 mol 169 unq 8 iso 0 dist 8.59976 6.37039 6.05009 15.445 7.85698 13.7198 numMergedOcc 0
26 mol 169 unq 9 iso 0 dist 8.59976 6.37039 6.05009 4.8357 8.75484 3.33711 numMergedOcc 0
27 mol 169 unq 10 iso 0 dist 9.71763 6.43144 9.15283 12.9917 5.41121 13.5169 numMergedOcc 0
28 mol 169 unq 11 iso 0 dist 9.71763 6.43144 9.15283 15.445 6.35799 12.6492 numMergedOcc 0
29 mol 184 unq 0 iso 0 dist 6.71675 8.04827 7.81263 9.24858 7.02762 3.74437 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 8.41708 6.50911 9.45907 9.15827 8.72743 3.60793 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 4.76698 4.87707 6.75725 9.77348 6.49413 8.04546 numMergedOcc 0
32 mol 260 unq 1 iso 0 dist 4.76698 4.87707 6.75725 8.11438 6.12343 8.22506 numMergedOcc 0
33 mol 260 unq 2 iso 0 dist 4.76698 4.87707 6.75725 3.43932 4.52405 3.68866 numMergedOcc 0
34 mol 260 unq 3 iso 0 dist 4.76698 14.0463 9.31888 9.77348 6.49413 7.35802 numMergedOcc 0
35 mol 260 unq 4 iso 0 dist 4.76698 14.0463 9.31888 8.11438 6.12343 9.94995 numMergedOcc 0
36 mol 260 unq 5 iso 0 dist 4.76698 14.0463 9.31888 3.43932 4.52405 12.8784 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 6.74022 11.3961 8.60027 3.47588 8.09181 10.6981 numMergedOcc 0
