0 mol 8 unq 0 iso 0 dist 8.80278 8.76702 9.60336 4.35292 9.36839 11.6352 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.80278 6.27477 13.4423 4.35292 9.36839 9.97264 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 4.10339 7.34019 9.45335 5.19317 5.83354 12.4965 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 4.10339 8.43828 5.98566 5.19317 5.83354 11.6737 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.0009 8.93949 4.76091 4.39847 7.8986 6.44118 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.91298 8.93949 6.13923 4.39847 7.24183 6.44118 numMergedOcc 0
6 mol 66 unq 0 iso 0 dist 7.1612 8.04639 6.43842 6.03391 6.85819 9.37957 numMergedOcc 0
7 mol 66 unq 1 iso 0 dist 7.1612 7.69019 5.95767 6.03391 6.85819 10.7538 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 7.18799 7.26032 5.19926 8.79483 9.62655 11.2976 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 8.4254 5.49793 5.19926 8.47281 9.62655 11.2976 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 11.2351 6.60356 11.5472 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 8.70106 5.94478 10.2138 11.4822 7.81042 15.1643 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 5.6579 5.31281 8.42445 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 5.66196 5.87387 5.24877 4.77912 8.9922 10.2889 numMergedOcc 0
14 mol 114 unq 2 iso 0 dist 5.66196 6.06543 8.47567 5.6579 5.31281 11.2415 numMergedOcc 0
15 mol 114 unq 3 iso 0 dist 5.66196 6.06543 8.47567 4.77912 8.9922 10.4242 numMergedOcc 0
16 mol 126 unq 0 iso 0 dist 7.80819 9.2806 4.57807 4.30864 7.25133 7.11388 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 13.4277 8.34427 11.5151 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 12.8539 8.15549 11.5642 numMergedOcc 0
19 mol 132 unq 1 iso 0 dist 7.14447 8.48641 11.8999 12.8539 8.15549 13.9285 numMergedOcc 0
20 mol 132 unq 2 iso 0 dist 7.14447 6.23573 5.77316 12.8539 8.15549 13.7853 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 5.86949 8.62898 5.34721 6.33907 9.71692 14.0476 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 6.72591 9.7168 12.9245 7.50382 9.71692 16.4612 numMergedOcc 0
23 mol 148 unq 2 iso 0 dist 6.72591 7.38138 10.5987 7.50382 9.71692 10.69 numMergedOcc 0
24 mol 150 unq 0 iso 0 dist 5.84971 8.6102 5.38822 6.43607 9.73708 14.1199 numMergedOcc 0
25 mol 150 unq 1 iso 0 dist 6.80192 9.61132 12.8684 7.48524 9.73708 16.3796 numMergedOcc 0
26 mol 150 unq 2 iso 0 dist 6.80192 7.34423 10.4881 7.48524 9.73708 10.6513 numMergedOcc 0
27 mol 160 unq 0 iso 0 dist 5.13415 9.20228 6.18641 4.29308 8.87648 11.0452 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 8.98221 8.08787 9.13357 13.6469 9.08767 15.4669 numMergedOcc 0
29 mol 189 unq 0 iso 0 dist 8.81184 9.58744 13.1061 12.7403 8.23197 19.7861 numMergedOcc 0
30 mol 189 unq 1 iso 0 dist 9.71306 9.58744 11.7613 6.58275 5.11059 12.8877 numMergedOcc 0
31 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 8.0557 7.30965 16.2734 numMergedOcc 0
32 mol 211 unq 0 iso 0 dist 5.02094 9.82765 11.3877 9.43858 9.8921 8.63308 numMergedOcc 0
33 mol 211 unq 1 iso 0 dist 5.02094 9.82765 11.3877 4.19883 8.50841 10.546 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 9.09371 9.93154 5.71921 9.22288 5.2851 10.2913 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 9.09371 9.18218 9.08864 9.22288 5.2851 13.1699 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 9.09371 6.18486 8.98613 9.22288 5.2851 11.3667 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 9.49732 6.49599 11.0067 17.4311 8.91916 18.4456 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 9.49732 6.49599 11.0067 12.8835 4.55368 13.8509 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 9.49732 9.34738 11.569 17.4311 8.91916 19.4422 numMergedOcc 0
40 mol 259 unq 3 iso 0 dist 9.49732 9.34738 11.569 12.8835 4.55368 14.9816 numMergedOcc 0
41 mol 259 unq 4 iso 0 dist 9.49732 9.47382 6.18571 17.4311 8.91916 12.2198 numMergedOcc 0
42 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 12.8835 4.55368 7.93997 numMergedOcc 0
43 mol 266 unq 0 iso 0 dist 9.64366 9.27588 8.81953 5.89487 6.91743 11.8878 numMergedOcc 0
44 mol 283 unq 0 iso 0 dist 8.821 7.92491 4.69801 5.9309 7.53773 9.53225 numMergedOcc 0
45 mol 283 unq 1 iso 0 dist 9.82337 7.92491 13.1972 14.0912 8.3815 18.8248 numMergedOcc 0
46 mol 283 unq 2 iso 0 dist 9.82337 7.92491 13.1972 10.1502 7.13925 16.3133 numMergedOcc 0
47 mol 287 unq 0 iso 0 dist 4.66252 9.22576 11.3048 5.44878 4.49185 12.0651 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 4.66252 9.22576 11.3048 5.44878 4.49185 12.0651 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 4.66252 9.22576 11.3048 5.44878 4.49185 12.0651 numMergedOcc 0
50 mol 293 unq 0 iso 0 dist 8.27274 8.90008 9.35524 11.8152 8.42712 13.1135 numMergedOcc 0
