0 mol 34 unq 0 iso 0 dist 8.82122 7.58092 9.56614 11.2523 9.78639 4.75881 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.69203 12.9781 9.25424 17.7328 11.418 6.38866 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.69203 8.80827 7.69101 8.65429 3.8237 9.48125 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 7.57144 4.96488 7.05327 4.98509 3.85603 6.38866 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.95084 13.0811 7.08628 19.8612 12.2601 8.14245 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.95084 13.0811 7.08628 17.3996 12.2529 6.36817 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.95084 13.0811 7.08628 10.5277 5.98272 8.0812 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 8.95084 13.0811 7.08628 15.1421 7.83821 4.17933 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 8.95084 13.0811 7.08628 13.1766 5.51708 5.54893 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 9.18584 9.12054 7.03832 10.7828 5.59994 8.65524 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 9.18584 9.12054 7.03832 15.5159 7.78417 8.96151 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 9.18584 9.12054 7.03832 13.6904 5.47187 9.02535 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 9.18584 13.688 7.16443 10.7828 5.59994 8.22812 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 9.18584 13.688 7.16443 15.5159 7.78417 4.22002 numMergedOcc 0
14 mol 48 unq 10 iso 0 dist 9.18584 13.688 7.16443 13.6904 5.47187 5.77855 numMergedOcc 0
15 mol 48 unq 11 iso 0 dist 9.18584 13.688 7.16443 20.2838 12.2824 8.10774 numMergedOcc 0
16 mol 48 unq 12 iso 0 dist 9.18584 13.688 7.16443 17.9813 12.3016 6.5241 numMergedOcc 0
17 mol 48 unq 13 iso 0 dist 7.8518 5.91316 7.08628 14.0478 12.2601 8.14245 numMergedOcc 0
18 mol 48 unq 14 iso 0 dist 7.8518 5.91316 7.08628 10.9951 12.2529 6.36817 numMergedOcc 0
19 mol 48 unq 15 iso 0 dist 7.8518 5.91316 7.08628 10.3111 5.98272 8.0812 numMergedOcc 0
20 mol 48 unq 16 iso 0 dist 7.8518 5.91316 7.08628 9.82031 7.83821 4.17933 numMergedOcc 0
21 mol 48 unq 17 iso 0 dist 7.8518 5.91316 7.08628 9.90517 5.51708 5.54893 numMergedOcc 0
22 mol 111 unq 0 iso 0 dist 4.9128 4.88926 7.75479 11.3324 11.4065 9.34782 numMergedOcc 0
23 mol 193 unq 0 iso 0 dist 7.20955 3.41036 6.17074 6.63784 6.11405 8.30069 numMergedOcc 0
24 mol 193 unq 1 iso 0 dist 7.20955 3.41036 6.17074 9.00934 3.90046 8.83551 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 5.40592 13.9649 9.76225 17.583 12.2834 9.55626 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 9.89583 16.2281 7.23916 10.3976 6.19835 7.85841 numMergedOcc 0
27 mol 254 unq 1 iso 0 dist 9.89583 15.8224 6.12653 10.3976 6.19835 9.20109 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 7.469 5.75061 5.30187 8.43724 5.91135 6.48099 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 8.54064 14.2203 6.01404 12.6872 6.01515 5.88958 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 7.21844 4.31553 6.01404 9.28059 6.01515 5.88958 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 5.55753 4.01495 7.1388 7.81225 7.45064 6.24487 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 5.55753 4.01495 7.1388 7.81225 7.45064 6.24487 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 5.55753 4.01495 7.1388 7.81225 7.45064 6.24487 numMergedOcc 0
