0 mol 53 unq 0 iso 0 dist 9.26043 10.0759 7.86285 5.86778 9.52717 7.02963 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 7.35217 4.92632 9.56474 7.17002 7.89643 11.5819 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.41313 15.0948 7.69222 5.21816 9.85386 13.815 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.41313 15.0948 7.69222 8.82709 4.8983 11.9118 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 9.41313 14.5973 5.82056 5.21816 9.85386 13.7005 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 9.41313 14.5973 5.82056 8.82709 4.8983 10.0644 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 9.41313 18.4582 9.09115 5.21816 9.85386 17.9011 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 9.41313 18.4582 9.09115 8.82709 4.8983 12.1501 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.47394 7.18582 9.11547 5.00693 7.27275 3.62998 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 9.47394 13.4088 8.23073 5.00693 7.27275 8.96713 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 7.28273 10.0627 9.31543 3.50174 4.4077 9.74071 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 7.28273 10.0627 9.31543 3.98945 8.4874 6.92699 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 7.28273 11.8027 8.85652 3.50174 4.4077 9.87781 numMergedOcc 0
13 mol 129 unq 3 iso 0 dist 7.28273 11.8027 8.85652 3.98945 8.4874 9.93375 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.72113 5.62911 9.77333 4.90099 5.97886 9.18271 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 8.43359 9.58574 5.08603 9.77872 5.5223 3.41605 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 8.43359 9.58574 5.08603 8.01902 8.00501 7.59825 numMergedOcc 0
17 mol 192 unq 2 iso 0 dist 8.43359 5.53973 9.30889 9.77872 5.5223 7.90804 numMergedOcc 0
18 mol 192 unq 3 iso 0 dist 8.43359 5.53973 9.30889 8.01902 8.00501 3.69054 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 8.30095 4.0847 8.44337 5.57164 9.13587 9.3899 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.5734 10.1093 7.75518 3.62589 9.16422 12.8209 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.30459 3.93117 5.81438 8.62729 8.77524 5.80328 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 8.73423 11.1412 5.81438 16.3802 8.77524 5.80328 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 7.74406 7.96442 8.44407 9.66099 9.46274 15.9748 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 7.74406 3.87538 6.0155 9.66099 9.46274 10.9698 numMergedOcc 0
25 mol 214 unq 2 iso 0 dist 7.74406 11.5715 8.89981 9.66099 9.46274 5.22858 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 6.17408 4.21942 5.99355 3.65952 8.99104 7.75074 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 6.17602 3.93622 5.99355 7.05149 8.99104 7.75074 numMergedOcc 0
28 mol 251 unq 0 iso 0 dist 7.73217 4.66779 8.07576 3.46172 8.15014 3.45567 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 7.50015 12.6654 9.52528 3.94102 8.99666 15.3449 numMergedOcc 0
30 mol 252 unq 1 iso 0 dist 8.33933 8.93714 9.52528 7.98948 8.99666 15.3449 numMergedOcc 0
31 mol 252 unq 2 iso 0 dist 5.95029 3.9962 9.52528 11.4978 8.99666 15.3449 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 8.2681 10.3367 8.59229 6.93425 6.74521 3.92688 numMergedOcc 0
33 mol 253 unq 1 iso 0 dist 8.2681 5.12941 7.33165 6.93425 6.74521 3.21986 numMergedOcc 0
34 mol 253 unq 2 iso 0 dist 8.2681 9.06733 9.66967 6.93425 6.74521 4.47943 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 9.44669 14.2548 9.81589 13.9996 9.48672 5.80505 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 9.70632 6.11441 4.93584 10.9606 9.32456 6.59398 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 9.04355 8.83056 7.19568 4.12505 9.31611 8.54063 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 9.04355 8.83056 7.19568 4.12505 9.31611 8.54063 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 9.04355 8.83056 7.19568 4.12505 9.31611 8.54063 numMergedOcc 0
