0 mol 54 unq 0 iso 0 dist 7.54869 5.50049 9.5589 6.29729 5.08001 6.83299 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.54869 5.50049 9.5589 13.1839 16.3192 8.10861 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 6.29729 5.50049 6.83299 7.54869 5.08001 9.5589 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 6.29729 5.50049 6.83299 13.1839 14.2075 8.10861 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.40411 11.5553 7.71095 15.3606 10.0246 6.85766 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 7.00844 4.99741 6.65595 10.6189 4.73512 9.25011 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 7.00844 4.99741 6.65595 11.4272 10.6819 6.43294 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 7.00844 4.99741 6.65595 12.8325 8.93946 8.52121 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 6.97123 7.20068 6.65721 9.532 6.86346 6.72123 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 9.532 7.20068 6.72123 6.97123 6.86346 6.65721 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 7.60252 9.89539 9.96708 13.3874 8.24309 9.78528 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.83265 6.69737 8.70481 16.513 14.9342 9.96396 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.83265 6.69737 8.70481 12.2528 13.3558 6.19304 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 6.89004 11.5995 9.36773 10.9977 5.57085 8.31336 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.90769 10.3117 9.01083 10.1186 5.53837 7.2658 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 9.02255 5.2048 7.27724 12.985 8.41707 8.03644 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 7.89797 4.98369 7.27724 6.12086 8.41707 8.03644 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 6.12086 4.98369 8.03644 7.89797 8.41707 7.27724 numMergedOcc 0
18 mol 95 unq 4 iso 0 dist 7.93544 9.11942 8.03644 14.2456 8.41707 7.27724 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 6.929 6.28185 8.58044 10.7428 7 7.34473 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 6.929 6.28185 8.58044 10.4322 6.94915 9.97763 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 9.20372 4.88092 8.40312 8.8389 5.55373 7.12972 numMergedOcc 0
22 mol 131 unq 1 iso 0 dist 9.20372 4.88092 8.40312 6.65519 10.7062 6.85062 numMergedOcc 0
23 mol 131 unq 2 iso 0 dist 6.65519 4.88092 6.85062 9.20372 10.7062 8.40312 numMergedOcc 0
24 mol 131 unq 3 iso 0 dist 6.65519 4.88092 6.85062 8.8389 6.63273 7.12972 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 6.70271 10.8963 7.11802 6.2109 8.18495 8.00618 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 6.2109 10.8963 8.00618 6.70271 8.18495 7.11802 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 5.44721 5.0869 6.29155 10.2801 7.81217 6.80239 numMergedOcc 0
28 mol 133 unq 3 iso 0 dist 5.44721 5.0869 6.29155 12.9622 11.965 8.00618 numMergedOcc 0
29 mol 142 unq 0 iso 0 dist 6.90378 8.11604 9.2313 7.01955 5.32922 5.31024 numMergedOcc 0
30 mol 142 unq 1 iso 0 dist 6.90378 5.39629 7.73169 7.01955 5.32922 7.26382 numMergedOcc 0
31 mol 142 unq 2 iso 0 dist 7.01955 8.11604 5.31024 6.90378 5.32922 9.2313 numMergedOcc 0
32 mol 142 unq 3 iso 0 dist 7.01955 5.39629 7.26382 6.90378 5.32922 7.73169 numMergedOcc 0
33 mol 175 unq 0 iso 0 dist 6.94119 12.4052 9.0018 12.3895 6.2715 5.6234 numMergedOcc 0
34 mol 175 unq 1 iso 0 dist 6.94119 12.4052 9.0018 13.159 8.16421 6.57069 numMergedOcc 0
35 mol 175 unq 2 iso 0 dist 6.94119 6.11854 7.652 12.3895 6.2715 9.92231 numMergedOcc 0
36 mol 206 unq 0 iso 0 dist 6.78537 9.45246 7.7366 9.94272 5.63422 9.774 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 6.7946 6.32915 5.81334 10.5666 5.60236 5.78342 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 6.7946 6.32915 5.81334 13.1979 6.91102 9.16166 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 7.9828 7.97488 8.53687 11.9057 10.582 8.13497 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 9.07855 15.5856 7.46176 9.85796 6.96053 7.88519 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 9.07855 15.5856 7.46176 11.4278 7.64658 7.84554 numMergedOcc 0
42 mol 259 unq 3 iso 0 dist 9.07855 15.5856 7.46176 15.7753 10.5239 9.18903 numMergedOcc 0
43 mol 259 unq 4 iso 0 dist 8.73296 6.69309 9.18903 11.9057 10.4881 7.88519 numMergedOcc 0
44 mol 259 unq 5 iso 0 dist 8.73296 6.69309 9.18903 10.0014 5.87173 7.84554 numMergedOcc 0
45 mol 259 unq 6 iso 0 dist 8.73296 6.69309 9.18903 13.3814 10.5239 7.46176 numMergedOcc 0
46 mol 264 unq 0 iso 0 dist 7.51284 11.5015 6.24356 15.8274 10.3202 9.361 numMergedOcc 0
47 mol 272 unq 0 iso 0 dist 9.32985 7.59176 8.33638 10.7336 5.40809 8.46116 numMergedOcc 0
48 mol 272 unq 1 iso 0 dist 5.50002 12.6468 8.46116 10.0329 5.40809 8.33638 numMergedOcc 0
