0 mol 5 unq 0 iso 0 dist 7.92988 8.62847 4.42081 4.05341 4.9568 7.56229 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 6.30807 9.83449 12.0998 9.29547 5.80534 16.7004 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 5.78968 9.51893 5.56988 3.86946 8.7531 12.3772 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 5.78968 9.51893 5.56988 10.4041 7.25138 7.16844 numMergedOcc 0
4 mol 62 unq 2 iso 0 dist 5.78968 8.47221 3.71033 3.86946 8.7531 10.6151 numMergedOcc 0
5 mol 62 unq 3 iso 0 dist 5.78968 8.47221 3.71033 10.4041 7.25138 9.24339 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 5.16558 6.89527 3.77705 7.68524 8.4702 5.88409 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 7.17678 9.18161 4.69809 6.25587 5.75135 9.08745 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 9.04935 8.52697 10.0025 8.47393 7.06029 9.04293 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 9.04935 9.66612 10.8249 8.47393 7.06029 12.0019 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.66549 6.24296 13.0679 11.9486 9.86038 16.4531 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.66549 6.83218 15.4283 11.9486 9.86038 16.7975 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.84466 9.43355 3.91263 13.6305 5.10693 6.67678 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 8.84466 9.43355 3.91263 14.1431 6.58814 7.24956 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 8.84466 9.43355 3.91263 3.99275 6.13459 8.28591 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 8.84466 9.43355 3.91263 6.46195 7.54391 9.40687 numMergedOcc 0
16 mol 93 unq 4 iso 0 dist 8.84466 5.64141 5.59024 13.6305 5.10693 10.4903 numMergedOcc 0
17 mol 93 unq 5 iso 0 dist 8.84466 5.64141 5.59024 14.1431 6.58814 11.5899 numMergedOcc 0
18 mol 93 unq 6 iso 0 dist 8.84466 5.64141 5.59024 3.99275 6.13459 5.35008 numMergedOcc 0
19 mol 93 unq 7 iso 0 dist 8.84466 5.64141 5.59024 6.46195 7.54391 8.84576 numMergedOcc 0
20 mol 93 unq 8 iso 0 dist 8.84466 5.46186 12.9872 13.6305 5.10693 17.0013 numMergedOcc 0
21 mol 93 unq 9 iso 0 dist 8.84466 5.46186 12.9872 14.1431 6.58814 16.7505 numMergedOcc 0
22 mol 93 unq 10 iso 0 dist 8.84466 5.46186 12.9872 3.99275 6.13459 8.30921 numMergedOcc 0
23 mol 93 unq 11 iso 0 dist 8.84466 5.46186 12.9872 6.46195 7.54391 7.39732 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 5.59311 7.33743 3.84992 4.88335 8.22722 11.0561 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 5.7232 7.33743 11.5628 4.88335 8.52036 11.0561 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 8.56204 8.66311 14.9735 3.86496 7.33643 8.93091 numMergedOcc 0
27 mol 183 unq 0 iso 0 dist 8.53483 9.3066 12.2415 13.7852 7.16035 17.2294 numMergedOcc 0
28 mol 183 unq 1 iso 0 dist 8.53483 9.3066 12.2415 9.09406 6.2675 14.6584 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 7.45384 9.22792 14.8878 12.0957 9.14525 18.0336 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 7.45384 7.85696 12.1704 12.0957 9.14525 17.7933 numMergedOcc 0
31 mol 186 unq 2 iso 0 dist 7.45384 5.00402 10.8153 12.0957 9.14525 16.3826 numMergedOcc 0
32 mol 186 unq 3 iso 0 dist 7.45384 6.17773 7.87503 12.0957 9.14525 15.7433 numMergedOcc 0
33 mol 241 unq 0 iso 0 dist 7.79013 6.2767 7.9986 11.3639 8.49869 15.0403 numMergedOcc 0
34 mol 243 unq 0 iso 0 dist 6.81644 7.13476 6.76489 5.38511 6.46793 9.53137 numMergedOcc 0
35 mol 269 unq 0 iso 0 dist 9.48928 8.68799 3.70752 9.80131 9.18157 11.0007 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 5.49794 5.35326 3.77031 3.83238 5.96259 4.98693 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 8.19213 9.98518 10.8866 3.76412 8.82649 8.06767 numMergedOcc 0
38 mol 287 unq 1 iso 0 dist 5.80664 9.98518 7.54288 3.76412 7.35776 8.06767 numMergedOcc 0
39 mol 287 unq 2 iso 0 dist 5.80664 9.98518 7.54288 5.39384 9.59195 11.2304 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 8.19213 9.98518 10.8866 3.76412 8.82649 8.06767 numMergedOcc 0
41 mol 288 unq 1 iso 0 dist 5.80664 9.98518 7.54288 3.76412 7.35776 8.06767 numMergedOcc 0
42 mol 288 unq 2 iso 0 dist 5.80664 9.98518 7.54288 5.39384 9.59195 11.2304 numMergedOcc 0
43 mol 289 unq 0 iso 0 dist 8.19213 9.98518 10.8866 3.76412 8.82649 8.06767 numMergedOcc 0
44 mol 289 unq 1 iso 0 dist 5.80664 9.98518 7.54288 3.76412 7.35776 8.06767 numMergedOcc 0
45 mol 289 unq 2 iso 0 dist 5.80664 9.98518 7.54288 5.39384 9.59195 11.2304 numMergedOcc 0
