0 mol 11 unq 0 iso 0 dist 9.53002 6.35398 7.5901 10.7048 4.79838 9.81983 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.75144 9.01567 13.2265 8.92779 16.9823 7.03544 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.75144 9.01567 13.2265 9.76111 15.6349 6.93597 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.75144 7.29868 13.719 13.7992 21.4713 7.85986 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.75144 7.29868 13.719 8.92779 16.9823 4.30252 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.58673 8.80614 8.88332 4.59417 8.98478 6.41008 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 9.57816 7.61685 7.83985 10.1773 8.35515 9.44645 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 7.20326 7.70232 9.79891 4.46691 11.0017 6.5788 numMergedOcc 0
8 mol 117 unq 1 iso 0 dist 7.20326 7.4671 9.97229 4.46691 11.0017 6.2771 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 6.94688 8.90963 4.43678 11.618 11.7261 9.20617 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 6.71012 8.90963 6.03415 11.618 7.61421 9.20617 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 6.73313 7.09394 10.7622 6.45169 8.98501 9.98182 numMergedOcc 0
12 mol 182 unq 1 iso 0 dist 6.73313 7.09394 10.7622 6.1548 12.8588 9.02127 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 5.03539 12.2427 7.02762 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 6.47873 8.65535 10.7231 12.8006 17.662 8.43182 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 9.19704 6.03688 14.6029 6.49049 14.9615 5.59832 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 6.0965 7.37798 6.17282 4.71943 10.4143 9.34602 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 6.0965 7.73322 10.5013 4.67313 6.8984 8.59946 numMergedOcc 0
18 mol 213 unq 2 iso 0 dist 9.59129 7.37798 12.1116 4.71943 14.2472 9.34602 numMergedOcc 0
19 mol 213 unq 3 iso 0 dist 9.59129 7.73322 9.93085 4.67313 7.77553 8.59946 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 6.95968 13.5462 9.78273 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 5.65339 6.21292 7.96337 10.28 9.80435 7.26232 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 9.43058 9.21736 17.5445 13.783 22.5915 7.26232 numMergedOcc 0
23 mol 235 unq 2 iso 0 dist 6.98084 8.69356 11.921 3.99115 10.9376 8.73715 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 8.83735 5.48118 10.639 10.3504 10.5843 8.76518 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.19234 6.39866 4.60275 4.60007 9.85661 8.09181 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 6.35287 8.00673 7.83538 13.7796 13.7721 8.1769 numMergedOcc 0
27 mol 278 unq 1 iso 0 dist 6.35287 8.00673 7.83538 10.2359 12.27 7.1656 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 4.86729 6.78191 6.76453 12.4957 12.6969 7.74874 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.04472 6.89451 4.481 4.21609 9.53713 7.99204 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 6.4778 6.89451 12.237 4.21609 9.97749 7.99204 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.04472 6.89451 4.481 4.21609 9.53713 7.99204 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 6.4778 6.89451 12.237 4.21609 9.97749 7.99204 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 7.04472 6.89451 4.481 4.21609 9.53713 7.99204 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 6.4778 6.89451 12.237 4.21609 9.97749 7.99204 numMergedOcc 0
