0 mol 10 unq 0 iso 0 dist 6.20404 6.97549 6.42403 6.47424 3.69246 8.53083 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 6.20404 6.47424 3.69246 6.97549 6.42403 8.53083 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.40399 6.29267 7.3779 9.64361 6.08409 9.02602 numMergedOcc 0
3 mol 79 unq 0 iso 1 dist 8.40399 9.64361 6.08409 6.29267 7.3779 9.02602 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.66549 8.15861 13.2781 9.27814 7.41484 16.3912 numMergedOcc 0
5 mol 85 unq 0 iso 1 dist 9.66549 9.27814 7.41484 8.15861 13.2781 16.3912 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 9.01153 8.95766 5.50138 8.6548 9.52825 5.48001 numMergedOcc 0
7 mol 96 unq 0 iso 1 dist 9.01153 8.6548 9.52825 8.95766 5.50138 5.48001 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 8.93916 5.39386 12.7913 5.79819 11.3398 3.00464 numMergedOcc 0
9 mol 147 unq 0 iso 1 dist 8.93916 5.79819 11.3398 5.39386 12.7913 3.00464 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 8.93916 5.39386 12.7913 6.03024 6.78721 7.05599 numMergedOcc 0
11 mol 147 unq 1 iso 1 dist 8.93916 6.03024 6.78721 5.39386 12.7913 7.05599 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 8.93916 5.79819 11.3398 6.03024 6.78721 5.61172 numMergedOcc 0
13 mol 147 unq 1 iso 1 dist 8.93916 6.03024 6.78721 5.79819 11.3398 5.61172 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 7.38022 9.08818 6.03974 8.5163 3.49762 7.80024 numMergedOcc 0
15 mol 218 unq 0 iso 1 dist 7.38022 8.5163 3.49762 9.08818 6.03974 7.80024 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.58385 8.52735 3.49673 5.65735 7.3107 8.44761 numMergedOcc 0
17 mol 225 unq 0 iso 1 dist 9.58385 5.65735 7.3107 8.52735 3.49673 8.44761 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 6.83539 8.52735 3.42123 5.65735 6.9328 8.44761 numMergedOcc 0
19 mol 225 unq 1 iso 1 dist 6.83539 5.65735 6.9328 8.52735 3.42123 8.44761 numMergedOcc 0
20 mol 225 unq 2 iso 0 dist 6.22747 8.52735 5.59654 5.65735 3.90226 8.44761 numMergedOcc 0
21 mol 225 unq 2 iso 1 dist 6.22747 5.65735 3.90226 8.52735 5.59654 8.44761 numMergedOcc 0
22 mol 225 unq 3 iso 0 dist 9.21404 8.52735 14.7084 5.65735 6.59432 8.44761 numMergedOcc 0
23 mol 225 unq 3 iso 1 dist 9.21404 5.65735 6.59432 8.52735 14.7084 8.44761 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 8.73749 6.67548 4.95134 5.57579 4.79249 2.95376 numMergedOcc 0
25 mol 264 unq 0 iso 1 dist 8.73749 5.57579 4.79249 6.67548 4.95134 2.95376 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.96682 5.77565 7.72539 6.32853 8.78528 5.57024 numMergedOcc 0
27 mol 274 unq 0 iso 1 dist 9.96682 6.32853 8.78528 5.77565 7.72539 5.57024 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 8.19213 8.15636 8.78444 7.86292 3.7428 6.88819 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 8.19213 7.86292 3.7428 8.15636 8.78444 6.88819 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 5.80664 8.15636 12.0542 7.86292 8.10528 6.88819 numMergedOcc 0
31 mol 287 unq 1 iso 1 dist 5.80664 7.86292 8.10528 8.15636 12.0542 6.88819 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 8.19213 8.15636 8.78444 7.86292 3.7428 6.88819 numMergedOcc 0
33 mol 288 unq 0 iso 1 dist 8.19213 7.86292 3.7428 8.15636 8.78444 6.88819 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 5.80664 8.15636 12.0542 7.86292 8.10528 6.88819 numMergedOcc 0
35 mol 288 unq 1 iso 1 dist 5.80664 7.86292 8.10528 8.15636 12.0542 6.88819 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 8.19213 8.15636 8.78444 7.86292 3.7428 6.88819 numMergedOcc 0
37 mol 289 unq 0 iso 1 dist 8.19213 7.86292 3.7428 8.15636 8.78444 6.88819 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 5.80664 8.15636 12.0542 7.86292 8.10528 6.88819 numMergedOcc 0
39 mol 289 unq 1 iso 1 dist 5.80664 7.86292 8.10528 8.15636 12.0542 6.88819 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 8.74181 8.81999 4.93923 4.83062 10.0659 11.8335 numMergedOcc 0
41 mol 294 unq 0 iso 1 dist 8.74181 4.83062 10.0659 8.81999 4.93923 11.8335 numMergedOcc 0
42 mol 294 unq 1 iso 0 dist 8.74181 8.81999 4.93923 5.18334 12.3645 12.3466 numMergedOcc 0
43 mol 294 unq 1 iso 1 dist 8.74181 5.18334 12.3645 8.81999 4.93923 12.3466 numMergedOcc 0
44 mol 294 unq 1 iso 0 dist 8.74181 4.83062 10.0659 5.18334 12.3645 4.59062 numMergedOcc 0
45 mol 294 unq 1 iso 1 dist 8.74181 5.18334 12.3645 4.83062 10.0659 4.59062 numMergedOcc 0
46 mol 294 unq 2 iso 0 dist 8.96987 8.81999 10.6017 4.83062 7.2873 11.8335 numMergedOcc 0
47 mol 294 unq 2 iso 1 dist 8.96987 4.83062 7.2873 8.81999 10.6017 11.8335 numMergedOcc 0
48 mol 294 unq 3 iso 0 dist 8.96987 8.81999 10.6017 5.18334 11.3568 12.3466 numMergedOcc 0
49 mol 294 unq 3 iso 1 dist 8.96987 5.18334 11.3568 8.81999 10.6017 12.3466 numMergedOcc 0
50 mol 294 unq 3 iso 0 dist 8.96987 4.83062 7.2873 5.18334 11.3568 4.59062 numMergedOcc 0
51 mol 294 unq 3 iso 1 dist 8.96987 5.18334 11.3568 4.83062 7.2873 4.59062 numMergedOcc 0
