0 mol 1 unq 0 iso 0 dist 5.65716 4.36042 8.26708 12.2921 8.31812 12.3378 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 6.44928 6.09918 12.2921 8.31812 10.1354 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 11.071 6.20227 10.6533 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 9.47968 12.6153 8.72023 8.3037 5.11883 4.9399 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 9.42167 4.87192 7.6222 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.70141 5.80023 9.24958 9.42167 4.87192 11.7026 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 5.97432 6.17631 5.81959 4.11406 5.44124 5.52519 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 5.97432 5.59268 6.90155 4.11406 5.44124 7.19007 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.13391 6.0968 6.98934 4.05728 8.3642 8.87718 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 6.13391 6.0968 6.98934 3.26359 4.31261 4.72999 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 9.27951 5.89379 8.93905 13.2271 9.23243 12.4334 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 5.06687 5.59872 9.02318 3.78181 6.49708 5.29844 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 5.06687 9.27313 9.74542 3.78181 6.49708 6.55924 numMergedOcc 0
13 mol 148 unq 2 iso 0 dist 5.06687 8.61198 7.97543 3.78181 6.49708 9.61708 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 5.09809 9.25213 9.6606 3.72958 6.45018 6.62435 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 5.09809 8.68422 7.85526 3.72958 6.45018 9.72618 numMergedOcc 0
16 mol 150 unq 2 iso 0 dist 5.09809 5.56996 8.94552 3.72958 6.45018 5.50847 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 5.9424 9.38045 12.9396 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 9.90625 10.6428 7.25742 4.44253 8.02691 7.44124 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 8.48559 6.46702 6.20182 10.7014 6.00293 5.05715 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 5.80513 4.12904 8.38738 7.55428 7.27002 10.1139 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 9.08628 4.358 8.0154 15.459 6.59925 13.4456 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 8.35581 9.63193 8.0154 12.0623 6.59925 13.4456 numMergedOcc 0
23 mol 175 unq 2 iso 0 dist 6.72569 8.97821 8.0154 9.05904 6.59925 13.4456 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.86028 7.39369 11.1912 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 7.47107 9.36943 8.12346 9.86028 7.39369 6.11279 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 7.47107 7.72655 8.83356 9.86028 7.39369 9.99597 numMergedOcc 0
27 mol 194 unq 3 iso 0 dist 7.47107 4.57265 8.2654 9.86028 7.39369 9.50345 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 7.31388 3.84723 5.37446 9.54557 9.40123 7.09658 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 9.86462 4.29962 8.0751 10.27 6.45821 7.79008 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 16.1823 9.18343 11.7207 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 10.394 7.14633 6.21901 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 12.4845 9.94302 13.798 numMergedOcc 0
33 mol 227 unq 2 iso 0 dist 8.12518 7.2593 5.4694 10.394 7.14633 6.29394 numMergedOcc 0
34 mol 227 unq 3 iso 0 dist 8.12518 7.2593 5.4694 12.4845 9.94302 10.9445 numMergedOcc 0
35 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 10.8851 7.35934 11.6095 numMergedOcc 0
36 mol 240 unq 1 iso 0 dist 8.44671 13.1893 8.44909 10.8851 7.35934 11.9494 numMergedOcc 0
37 mol 251 unq 0 iso 0 dist 8.38382 8.64172 8.01198 3.43331 6.12282 7.703 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 5.22349 8.32163 6.11473 4.28835 6.5058 7.15243 numMergedOcc 0
39 mol 252 unq 1 iso 0 dist 9.81593 8.32163 8.47784 4.28835 6.77555 7.15243 numMergedOcc 0
40 mol 252 unq 2 iso 0 dist 9.81593 10.6815 8.66469 4.28835 6.77555 7.18984 numMergedOcc 0
41 mol 252 unq 3 iso 0 dist 9.78248 16.5062 8.47784 13.9287 6.77555 7.15243 numMergedOcc 0
42 mol 252 unq 4 iso 0 dist 9.78248 9.67333 8.66469 13.9287 6.77555 7.18984 numMergedOcc 0
43 mol 258 unq 0 iso 0 dist 8.78354 11.5659 6.70815 4.41915 8.65191 9.34197 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 8.78354 11.716 7.99477 4.41915 8.65191 8.40328 numMergedOcc 0
45 mol 272 unq 0 iso 0 dist 8.60979 9.38679 9.19033 3.62419 7.64992 5.99934 numMergedOcc 0
46 mol 285 unq 0 iso 0 dist 6.89391 4.16039 5.31728 8.06603 5.04032 6.40962 numMergedOcc 0
