0 mol 0 unq 0 iso 0 dist 9.72725 10.5877 5.88757 14.2251 8.66548 8.8123 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.72725 14.2251 8.66548 10.5877 5.88757 8.8123 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 5.8245 8.27962 9.71516 11.4878 9.81658 5.80437 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 5.8245 11.4878 9.81658 8.27962 9.71516 5.80437 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 6.10146 9.96121 14.531 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 9.12845 6.10146 9.96121 14.1424 9.06516 14.531 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 6.24711 5.32981 7.08559 8.90278 8.63635 12.6781 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 6.24711 8.90278 8.63635 5.32981 7.08559 12.6781 numMergedOcc 0
8 mol 53 unq 0 iso 0 dist 7.28228 5.50513 7.11695 10.8486 7.58093 6.1522 numMergedOcc 0
9 mol 53 unq 0 iso 1 dist 7.28228 10.8486 7.58093 5.50513 7.11695 6.1522 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.66539 10.8078 7.03126 6.35371 9.68228 14.2885 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 8.66539 6.35371 9.68228 10.8078 7.03126 14.2885 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 5.38524 5.98837 7.03126 8.48255 9.68228 14.2885 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 5.38524 8.48255 9.68228 5.98837 7.03126 14.2885 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 8.69057 4.55117 7.03126 13.3401 9.68228 14.2885 numMergedOcc 0
15 mol 58 unq 2 iso 1 dist 8.69057 13.3401 9.68228 4.55117 7.03126 14.2885 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 9.55118 7.11552 5.4605 12.3903 6.1906 6.31884 numMergedOcc 0
17 mol 72 unq 0 iso 1 dist 9.55118 12.3903 6.1906 7.11552 5.4605 6.31884 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 9.55118 7.11552 5.4605 7.17489 6.7272 4.64409 numMergedOcc 0
19 mol 72 unq 1 iso 1 dist 9.55118 7.17489 6.7272 7.11552 5.4605 4.64409 numMergedOcc 0
20 mol 72 unq 1 iso 0 dist 9.55118 12.3903 6.1906 7.17489 6.7272 6.08893 numMergedOcc 0
21 mol 72 unq 1 iso 1 dist 9.55118 7.17489 6.7272 12.3903 6.1906 6.08893 numMergedOcc 0
22 mol 76 unq 0 iso 0 dist 8.13108 10.963 9.4866 7.18506 9.40363 10.6948 numMergedOcc 0
23 mol 76 unq 0 iso 1 dist 8.13108 7.18506 9.40363 10.963 9.4866 10.6948 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.95212 10.3457 6.13374 16.7975 9.08536 8.58342 numMergedOcc 0
25 mol 119 unq 0 iso 1 dist 8.95212 16.7975 9.08536 10.3457 6.13374 8.58342 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 6.99446 6.35763 6.13374 7.36192 9.08536 8.58342 numMergedOcc 0
27 mol 119 unq 1 iso 1 dist 6.99446 7.36192 9.08536 6.35763 6.13374 8.58342 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 7.64052 10.0197 6.13374 10.6679 9.08536 8.58342 numMergedOcc 0
29 mol 119 unq 2 iso 1 dist 7.64052 10.6679 9.08536 10.0197 6.13374 8.58342 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 7.36975 6.01455 7.05845 5.44503 8.18023 10.2334 numMergedOcc 0
31 mol 143 unq 0 iso 1 dist 7.36975 5.44503 8.18023 6.01455 7.05845 10.2334 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 8.97626 12.8482 7.29911 8.27726 5.36254 5.68272 numMergedOcc 0
33 mol 155 unq 0 iso 1 dist 8.97626 8.27726 5.36254 12.8482 7.29911 5.68272 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 8.08349 10.7113 5.73591 11.4491 8.55345 4.74813 numMergedOcc 0
35 mol 224 unq 0 iso 1 dist 8.08349 11.4491 8.55345 10.7113 5.73591 4.74813 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 9.78218 11.4252 5.73591 9.14568 8.55345 4.74813 numMergedOcc 0
37 mol 224 unq 1 iso 1 dist 9.78218 9.14568 8.55345 11.4252 5.73591 4.74813 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 7.12954 9.59574 15.6443 numMergedOcc 0
39 mol 225 unq 0 iso 1 dist 8.1945 7.12954 9.59574 10.7506 8.91356 15.6443 numMergedOcc 0
40 mol 225 unq 1 iso 0 dist 6.50998 8.69249 8.91356 14.2819 9.59574 15.6443 numMergedOcc 0
41 mol 225 unq 1 iso 1 dist 6.50998 14.2819 9.59574 8.69249 8.91356 15.6443 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 7.81215 5.56749 9.11572 15.015 9.49229 12.4341 numMergedOcc 0
43 mol 234 unq 0 iso 1 dist 7.81215 15.015 9.49229 5.56749 9.11572 12.4341 numMergedOcc 0
44 mol 234 unq 1 iso 0 dist 7.81215 5.56749 9.11572 12.1076 7.20293 10.9755 numMergedOcc 0
45 mol 234 unq 1 iso 1 dist 7.81215 12.1076 7.20293 5.56749 9.11572 10.9755 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 7.81215 15.015 9.49229 12.1076 7.20293 5.6054 numMergedOcc 0
47 mol 234 unq 1 iso 1 dist 7.81215 12.1076 7.20293 15.015 9.49229 5.6054 numMergedOcc 0
48 mol 234 unq 2 iso 0 dist 5.64285 8.0608 9.11572 5.34613 9.49229 12.4341 numMergedOcc 0
49 mol 234 unq 2 iso 1 dist 5.64285 5.34613 9.49229 8.0608 9.11572 12.4341 numMergedOcc 0
50 mol 234 unq 3 iso 0 dist 5.64285 8.0608 9.11572 6.29366 7.20293 10.9755 numMergedOcc 0
51 mol 234 unq 3 iso 1 dist 5.64285 6.29366 7.20293 8.0608 9.11572 10.9755 numMergedOcc 0
52 mol 234 unq 3 iso 0 dist 5.64285 5.34613 9.49229 6.29366 7.20293 5.6054 numMergedOcc 0
53 mol 234 unq 3 iso 1 dist 5.64285 6.29366 7.20293 5.34613 9.49229 5.6054 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 6.99888 5.54325 5.43613 10.0613 7.06768 6.34909 numMergedOcc 0
55 mol 238 unq 0 iso 1 dist 6.99888 10.0613 7.06768 5.54325 5.43613 6.34909 numMergedOcc 0
56 mol 238 unq 1 iso 0 dist 9.08509 5.17471 5.43613 5.03393 7.06768 6.34909 numMergedOcc 0
57 mol 238 unq 1 iso 1 dist 9.08509 5.03393 7.06768 5.17471 5.43613 6.34909 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 6.35028 5.14235 8.92667 7.69081 6.0283 6.95 numMergedOcc 0
59 mol 279 unq 0 iso 1 dist 6.35028 7.69081 6.0283 5.14235 8.92667 6.95 numMergedOcc 0
60 mol 292 unq 0 iso 0 dist 9.9182 9.98079 9.08193 18.0293 8.73515 12.8693 numMergedOcc 0
61 mol 292 unq 0 iso 1 dist 9.9182 18.0293 8.73515 9.98079 9.08193 12.8693 numMergedOcc 0
62 mol 292 unq 1 iso 0 dist 7.30758 5.07048 9.08193 12.1551 8.73515 12.8693 numMergedOcc 0
63 mol 292 unq 1 iso 1 dist 7.30758 12.1551 8.73515 5.07048 9.08193 12.8693 numMergedOcc 0
64 mol 292 unq 2 iso 0 dist 9.10788 10.0311 9.08193 10.8709 8.73515 12.8693 numMergedOcc 0
65 mol 292 unq 2 iso 1 dist 9.10788 10.8709 8.73515 10.0311 9.08193 12.8693 numMergedOcc 0
