0 mol 5 unq 0 iso 0 dist 7.92988 11.5151 8.70824 4.05341 4.9568 10.7591 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.92988 4.25268 5.93404 4.05341 4.9568 3.91535 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.92988 10.2365 6.70655 4.05341 4.9568 6.94674 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 6.74091 10.2455 9.38983 8.12738 8.44792 6.62276 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 6.74091 10.2455 9.38983 4.06691 4.94198 7.95312 numMergedOcc 0
5 mol 10 unq 2 iso 0 dist 6.74091 10.2455 9.38983 10.1984 9.62353 15.7095 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 6.30807 12.4266 9.84967 9.29547 5.80534 4.20267 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 5.16558 4.53097 8.39857 7.68524 8.4702 10.4968 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 7.17678 8.98413 7.30652 6.25587 5.75135 10.4187 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.04935 4.82573 5.55798 8.47393 7.06029 4.13187 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 9.42444 8.68983 9.74082 9.06356 8.60172 3.95522 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.16344 4.02653 8.3565 3.68143 7.39028 5.38685 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.86691 8.09812 6.9268 5.27905 4.82356 4.63862 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 5.59311 6.14253 9.56319 4.88335 8.22722 6.208 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 5.59311 4.88407 6.65267 4.88335 8.22722 3.60683 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 5.7232 6.14253 9.73038 4.88335 8.52036 6.208 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.0302 9.99567 8.52591 3.48408 6.41183 10.3186 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 6.65051 6.02176 8.52591 5.71838 6.41183 10.3186 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 9.41519 5.44444 8.52591 10.616 6.41183 10.3186 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 6.28769 5.30543 5.47265 7.56825 8.76449 10.0388 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 6.28769 5.30543 5.47265 5.56838 8.36182 9.71714 numMergedOcc 0
21 mol 185 unq 0 iso 0 dist 6.06763 9.15037 8.85182 8.94859 9.1549 4.49455 numMergedOcc 0
22 mol 185 unq 1 iso 0 dist 6.06763 3.55732 5.7065 8.94859 9.1549 9.70184 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 7.00974 11.3038 9.06357 8.83892 5.16859 8.6028 numMergedOcc 0
24 mol 244 unq 1 iso 0 dist 7.00974 11.3038 9.06357 6.49718 4.79207 12.6842 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 6.83706 14.6808 8.93518 3.94409 6.69951 12.7942 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 8.09021 15.4423 9.94957 3.5393 5.8898 13.1075 numMergedOcc 0
27 mol 265 unq 1 iso 0 dist 6.98451 11.3503 9.94957 3.99477 5.8898 13.1075 numMergedOcc 0
28 mol 268 unq 0 iso 0 dist 9.7384 10.2436 6.62669 7.09622 6.18877 5.92765 numMergedOcc 0
29 mol 268 unq 1 iso 0 dist 9.7384 4.84665 9.73984 7.09622 6.18877 7.13665 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.90634 8.049 6.19545 4.12505 6.16127 4.00861 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 7.90634 5.05806 7.3388 4.12505 6.16127 5.03775 numMergedOcc 0
32 mol 287 unq 2 iso 0 dist 7.90634 11.1974 6.96248 4.12505 6.16127 8.95194 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.90634 8.049 6.19545 4.12505 6.16127 4.00861 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 7.90634 5.05806 7.3388 4.12505 6.16127 5.03775 numMergedOcc 0
35 mol 288 unq 2 iso 0 dist 7.90634 11.1974 6.96248 4.12505 6.16127 8.95194 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 7.90634 8.049 6.19545 4.12505 6.16127 4.00861 numMergedOcc 0
37 mol 289 unq 1 iso 0 dist 7.90634 5.05806 7.3388 4.12505 6.16127 5.03775 numMergedOcc 0
38 mol 289 unq 2 iso 0 dist 7.90634 11.1974 6.96248 4.12505 6.16127 8.95194 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 8.88961 13.6882 9.64435 11.7154 7.48987 10.528 numMergedOcc 0
40 mol 294 unq 1 iso 0 dist 8.88961 13.6882 9.64435 9.30905 8.35637 4.83566 numMergedOcc 0
