0 mol 8 unq 0 iso 0 dist 8.80278 8.76702 9.60336 9.69819 8.00482 6.22971 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.80278 6.27477 13.4423 9.69819 8.00482 10.3253 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.73998 8.76702 13.0138 9.69819 15.9854 6.22971 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.73998 6.27477 5.95251 9.69819 15.9854 10.3253 numMergedOcc 0
4 mol 12 unq 0 iso 0 dist 5.44478 9.41745 6.9065 7.4036 4.40652 10.9547 numMergedOcc 0
5 mol 20 unq 0 iso 0 dist 9.4759 6.44693 9.15208 9.63181 12.1337 7.77965 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 9.67946 15.9786 4.3253 numMergedOcc 0
7 mol 36 unq 0 iso 0 dist 4.10339 7.34019 9.45335 7.11464 6.94144 6.11846 numMergedOcc 0
8 mol 36 unq 1 iso 0 dist 4.10339 8.43828 5.98566 7.11464 6.94144 7.3917 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 5.97418 8.60577 6.44323 5.39827 9.89377 9.23414 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 7.14979 9.84668 7.43519 7.35929 4.49645 7.78153 numMergedOcc 0
11 mol 65 unq 0 iso 0 dist 9.1487 9.38611 5.38234 8.58416 10.8649 6.47381 numMergedOcc 0
12 mol 66 unq 0 iso 0 dist 7.1612 8.04639 6.43842 5.75397 6.97546 5.99928 numMergedOcc 0
13 mol 66 unq 1 iso 0 dist 7.1612 8.04639 6.43842 9.11975 6.70072 4.38694 numMergedOcc 0
14 mol 66 unq 2 iso 0 dist 7.1612 7.69019 5.95767 5.75397 6.97546 5.61937 numMergedOcc 0
15 mol 66 unq 3 iso 0 dist 7.1612 7.69019 5.95767 9.11975 6.70072 7.22146 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 8.22984 10.0156 9.75737 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 5.72494 5.94478 6.07628 9.61913 6.12629 9.91049 numMergedOcc 0
18 mol 103 unq 1 iso 0 dist 8.70106 5.94478 10.2138 9.61913 12.2951 9.91049 numMergedOcc 0
19 mol 125 unq 0 iso 0 dist 4.81596 8.38646 6.06241 8.6317 6.22139 9.20086 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 8.95717 9.64856 7.14559 8.74658 10.0563 6.26504 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 8.95717 6.38977 11.3296 8.74658 10.0563 7.7567 numMergedOcc 0
22 mol 131 unq 2 iso 0 dist 8.95717 9.69757 15.665 8.74658 10.0563 8.23791 numMergedOcc 0
23 mol 148 unq 0 iso 0 dist 8.60157 9.7168 5.77745 9.92375 13.7802 11.2659 numMergedOcc 0
24 mol 148 unq 1 iso 0 dist 8.60157 7.38138 11.2162 9.92375 13.7802 4.99768 numMergedOcc 0
25 mol 148 unq 2 iso 0 dist 6.72591 9.7168 12.9245 9.92375 9.82423 11.2659 numMergedOcc 0
26 mol 148 unq 3 iso 0 dist 6.72591 7.38138 10.5987 9.92375 9.82423 4.99768 numMergedOcc 0
27 mol 158 unq 0 iso 0 dist 6.45502 8.1504 5.16728 9.58371 5.97811 7.49843 numMergedOcc 0
28 mol 189 unq 0 iso 0 dist 8.81184 9.58744 13.1061 7.45329 6.41248 10.1941 numMergedOcc 0
29 mol 189 unq 1 iso 0 dist 9.71306 9.58744 11.7613 7.45329 10.6364 10.1941 numMergedOcc 0
30 mol 189 unq 2 iso 0 dist 9.20296 9.58744 6.36139 7.45329 12.7664 10.1941 numMergedOcc 0
31 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 7.27051 13.2917 12.717 numMergedOcc 0
32 mol 192 unq 1 iso 0 dist 9.67207 9.05666 15.8138 7.35424 10.3343 14.8459 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 9.09371 9.93154 5.71921 5.87056 7.15779 6.00424 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 9.09371 9.93154 5.71921 9.84311 13.3228 10.7656 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 9.09371 9.93154 5.71921 8.85568 6.10844 10.3825 numMergedOcc 0
36 mol 227 unq 3 iso 0 dist 9.09371 9.18218 9.08864 5.87056 7.15779 9.76735 numMergedOcc 0
37 mol 227 unq 4 iso 0 dist 9.09371 9.18218 9.08864 9.84311 13.3228 5.10635 numMergedOcc 0
38 mol 227 unq 5 iso 0 dist 9.09371 9.18218 9.08864 8.85568 6.10844 8.86483 numMergedOcc 0
39 mol 227 unq 6 iso 0 dist 9.09371 6.18486 8.98613 5.87056 7.15779 9.32448 numMergedOcc 0
40 mol 227 unq 7 iso 0 dist 9.09371 6.18486 8.98613 9.84311 13.3228 6.48027 numMergedOcc 0
41 mol 227 unq 8 iso 0 dist 9.09371 6.18486 8.98613 8.85568 6.10844 6.67321 numMergedOcc 0
42 mol 253 unq 0 iso 0 dist 8.27377 7.0247 12.8819 8.70383 10.9823 5.78064 numMergedOcc 0
43 mol 261 unq 0 iso 0 dist 9.0643 7.26647 6.80146 5.83338 6.78245 7.86966 numMergedOcc 0
44 mol 261 unq 1 iso 0 dist 9.0643 7.7309 9.00992 5.83338 6.78245 6.65675 numMergedOcc 0
45 mol 261 unq 2 iso 0 dist 7.4202 7.26647 12.9384 5.83338 5.85813 7.86966 numMergedOcc 0
46 mol 261 unq 3 iso 0 dist 7.4202 7.7309 11.479 5.83338 5.85813 6.65675 numMergedOcc 0
47 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 8.74282 7.57645 6.51623 numMergedOcc 0
48 mol 276 unq 1 iso 0 dist 8.0652 6.24808 5.88008 8.74282 7.57645 5.41235 numMergedOcc 0
49 mol 282 unq 0 iso 0 dist 7.28238 7.70229 6.17747 5.94224 5.64774 8.2662 numMergedOcc 0
50 mol 282 unq 1 iso 0 dist 7.28238 7.90792 7.94567 5.94224 5.64774 6.6348 numMergedOcc 0
51 mol 282 unq 2 iso 0 dist 7.3389 7.70229 13.1327 5.94224 5.61995 8.2662 numMergedOcc 0
52 mol 282 unq 3 iso 0 dist 7.3389 7.90792 11.2762 5.94224 5.61995 6.6348 numMergedOcc 0
53 mol 287 unq 0 iso 0 dist 4.66252 9.22576 11.3048 9.52718 13.0167 4.9628 numMergedOcc 0
54 mol 288 unq 0 iso 0 dist 4.66252 9.22576 11.3048 9.52718 13.0167 4.9628 numMergedOcc 0
55 mol 289 unq 0 iso 0 dist 4.66252 9.22576 11.3048 9.52718 13.0167 4.9628 numMergedOcc 0
56 mol 293 unq 0 iso 0 dist 6.02106 8.90008 8.15525 8.60282 4.27008 5.46037 numMergedOcc 0
57 mol 293 unq 1 iso 0 dist 8.27274 8.90008 9.35524 8.60282 5.75555 5.46037 numMergedOcc 0
