0 mol 10 unq 0 iso 0 dist 7.36963 5.66953 7.74463 9.27837 6.77807 11.1641 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.62508 7.98722 7.2551 6.95803 9.2146 13.6047 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 9.77719 13.4678 7.2551 4.3475 9.2146 13.6047 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 7.01492 6.33881 7.7124 4.09734 5.70939 8.02028 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.31272 12.8112 7.78899 5.19478 8.29196 10.1404 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 9.06787 14.816 8.79235 4.50355 9.32314 14.8207 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 5.14123 5.87975 7.80026 6.84869 6.23509 12.2403 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 5.35145 5.72979 6.44825 5.88789 5.88409 8.43533 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 8.76815 7.23902 9.90923 11.2448 8.19932 8.41751 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 5.65006 7.2435 6.14248 5.5308 5.45099 5.50078 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 5.65006 7.2435 6.14248 10.5881 8.44765 11.6055 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 5.65006 7.2435 6.14248 9.74852 9.06643 13.5729 numMergedOcc 0
12 mol 76 unq 3 iso 0 dist 5.65006 8.53213 6.97936 5.5308 5.45099 11.6853 numMergedOcc 0
13 mol 76 unq 4 iso 0 dist 5.65006 8.53213 6.97936 10.5881 8.44765 15.0489 numMergedOcc 0
14 mol 76 unq 5 iso 0 dist 5.65006 8.53213 6.97936 9.74852 9.06643 14.2393 numMergedOcc 0
15 mol 76 unq 6 iso 0 dist 5.65006 5.28721 5.00466 5.5308 5.45099 4.94673 numMergedOcc 0
16 mol 76 unq 7 iso 0 dist 5.65006 5.28721 5.00466 10.5881 8.44765 5.78236 numMergedOcc 0
17 mol 76 unq 8 iso 0 dist 5.65006 5.28721 5.00466 9.74852 9.06643 4.73151 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 8.17687 11.6175 6.12663 3.37256 9.54696 12.0024 numMergedOcc 0
19 mol 79 unq 1 iso 0 dist 8.17687 11.6175 6.12663 6.27386 4.62636 5.78777 numMergedOcc 0
20 mol 107 unq 0 iso 0 dist 8.2411 11.7698 9.68222 10.9097 7.91251 8.41816 numMergedOcc 0
21 mol 107 unq 1 iso 0 dist 8.2411 11.7698 9.68222 4.34186 9.09262 15.3177 numMergedOcc 0
22 mol 107 unq 2 iso 0 dist 8.76052 7.56069 8.28321 4.0435 9.54492 4.94251 numMergedOcc 0
23 mol 107 unq 3 iso 0 dist 8.76052 4.949 8.89853 4.0435 9.54492 7.56817 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 9.77567 6.30491 9.17216 13.8682 8.60651 16.3297 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 9.77567 4.48776 9.40483 13.8682 8.60651 11.5151 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 8.65328 10.9142 7.96541 4.18108 7.0961 9.69599 numMergedOcc 0
27 mol 168 unq 1 iso 0 dist 8.65328 10.9142 7.96541 3.6038 8.26768 7.91845 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.3407 8.15911 9.867 12.1876 7.68686 15.4168 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 6.20862 14.2932 8.94981 13.4094 8.74463 10.8002 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 7.27888 4.8373 8.94981 6.04835 8.74463 10.8002 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 6.61768 5.66268 7.97711 7.98379 7.72861 5.34431 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 6.61768 5.66268 7.97711 4.58167 8.20376 8.39575 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 7.75982 5.35817 7.03656 3.72284 8.62266 5.67885 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.51266 10.5065 9.24101 5.92057 9.56933 9.41407 numMergedOcc 0
