0 mol 11 unq 0 iso 0 dist 5.25331 3.66215 6.83186 12.4305 12.0683 9.89425 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.19827 4.49303 7.47395 5.9809 4.7579 7.99756 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 8.19827 4.49303 7.47395 5.83917 3.21365 4.36087 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.4403 3.76025 4.75881 7.882 3.41186 6.52283 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.61815 8.50202 4.75881 6.016 3.41186 6.52283 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 7.02387 10.1271 6.5241 16.3276 9.94951 7.78689 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.44353 4.28224 8.22812 10.8614 9.26377 7.78689 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 6.11249 4.28224 4.22002 10.8614 4.88527 7.78689 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 7.86326 4.28224 5.77855 10.8614 4.76279 7.78689 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 4.74786 4.28224 6.5241 10.8614 9.94951 7.78689 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 4.53565 4.12075 6.36817 10.6461 9.7018 7.70645 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 8.53722 4.12075 8.0812 10.6461 8.95384 7.70645 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 6.15814 4.12075 4.17933 10.6461 4.57947 7.70645 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 7.70284 4.12075 5.54893 10.6461 4.60843 7.70645 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 7.08628 12.2529 6.36817 18.0126 11.246 7.7927 numMergedOcc 0
15 mol 48 unq 10 iso 0 dist 7.08628 12.2529 6.36817 16.0298 9.92075 6.17378 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 8.90522 10.865 7.66068 10.9283 3.35924 5.45099 numMergedOcc 0
17 mol 76 unq 1 iso 0 dist 8.90522 10.2651 9.5043 10.9283 3.35924 8.44765 numMergedOcc 0
18 mol 76 unq 2 iso 0 dist 8.90522 5.92868 8.34132 10.9283 3.35924 9.06643 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 7.08462 4.89844 6.20144 8.71844 7.19532 4.74254 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 5.45882 5.09579 4.49669 9.85902 10.1118 8.67025 numMergedOcc 0
21 mol 113 unq 1 iso 0 dist 5.45882 5.46299 5.88896 5.29949 8.39067 9.60127 numMergedOcc 0
22 mol 113 unq 2 iso 0 dist 4.57487 5.09579 6.00221 9.85902 8.19901 8.67025 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 8.08798 4.19541 4.3855 7.46803 5.94217 6.60366 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 9.76225 12.2834 9.55626 10.4945 5.43825 6.68939 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 4.51124 6.68247 8.32259 5.3819 5.80328 8.23717 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 4.51124 7.51762 9.93489 5.3819 5.80328 7.98864 numMergedOcc 0
27 mol 204 unq 2 iso 0 dist 8.41517 6.68247 8.54737 5.3819 3.68217 8.23717 numMergedOcc 0
28 mol 204 unq 3 iso 0 dist 8.41517 7.51762 7.64057 5.3819 3.68217 7.98864 numMergedOcc 0
29 mol 204 unq 4 iso 0 dist 7.76863 3.99343 8.32259 8.66162 4.7839 7.33774 numMergedOcc 0
30 mol 204 unq 5 iso 0 dist 7.76863 11.4601 8.54737 8.66162 4.7839 6.39122 numMergedOcc 0
31 mol 214 unq 0 iso 0 dist 8.3107 3.92649 8.66082 10.1796 4.84709 8.49349 numMergedOcc 0
32 mol 214 unq 1 iso 0 dist 8.3107 11.4548 7.96338 10.1796 4.84709 6.50654 numMergedOcc 0
33 mol 214 unq 2 iso 0 dist 7.72298 6.05252 7.96338 13.9735 8.88633 9.59928 numMergedOcc 0
34 mol 214 unq 3 iso 0 dist 7.72298 6.05252 7.96338 9.58372 3.64285 7.70062 numMergedOcc 0
35 mol 214 unq 4 iso 0 dist 7.72298 4.00138 7.42759 9.58372 3.64285 7.66702 numMergedOcc 0
36 mol 254 unq 0 iso 0 dist 7.23916 6.19835 7.85841 9.66641 8.8967 5.6417 numMergedOcc 0
37 mol 254 unq 1 iso 0 dist 7.23916 6.19835 7.85841 9.26575 9.42679 7.42831 numMergedOcc 0
38 mol 254 unq 2 iso 0 dist 6.12653 6.19835 9.20109 9.66641 10.929 5.6417 numMergedOcc 0
39 mol 254 unq 3 iso 0 dist 6.12653 6.19835 9.20109 9.26575 10.706 7.42831 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 5.85613 3.89364 5.58222 8.94802 4.96861 7.32564 numMergedOcc 0
41 mol 260 unq 0 iso 0 dist 5.30187 5.91135 6.48099 8.93646 3.68866 8.51564 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.62597 13.6468 7.98956 12.3265 10.5214 5.13533 numMergedOcc 0
43 mol 285 unq 0 iso 0 dist 6.01404 6.01515 5.88958 12.8128 10.5542 7.73438 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 7.1388 7.45064 6.24487 11.4938 5.96434 6.22311 numMergedOcc 0
45 mol 287 unq 1 iso 0 dist 5.50067 8.99193 4.68668 8.59762 3.66473 4.93516 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 7.1388 7.45064 6.24487 11.4938 5.96434 6.22311 numMergedOcc 0
47 mol 288 unq 1 iso 0 dist 5.50067 8.99193 4.68668 8.59762 3.66473 4.93516 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 7.1388 7.45064 6.24487 11.4938 5.96434 6.22311 numMergedOcc 0
49 mol 289 unq 1 iso 0 dist 5.50067 8.99193 4.68668 8.59762 3.66473 4.93516 numMergedOcc 0
