0 mol 41 unq 0 iso 0 dist 6.51139 5.31016 7.22315 8.79418 6.35506 12.3771 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.76585 9.38335 14.1531 4.89928 6.57633 12.6221 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.04514 9.42728 6.54946 12.2639 8.8645 15.0828 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.04514 7.93341 10.2729 12.2639 8.8645 17.6446 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.82294 6.23138 8.95689 14.2658 7.11238 15.4915 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 8.99759 5.78029 5.41202 8.52805 9.8896 11.2631 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 5.81553 8.23777 6.74235 3.82552 6.6536 5.36587 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.79677 8.27794 11.1547 13.0649 8.40389 13.8288 numMergedOcc 0
8 mol 157 unq 0 iso 0 dist 8.78412 9.30128 6.22449 12.5289 6.07906 10.9803 numMergedOcc 0
9 mol 157 unq 1 iso 0 dist 8.78412 9.30128 6.22449 11.4935 8.72717 11.6885 numMergedOcc 0
10 mol 157 unq 2 iso 0 dist 8.78412 9.04487 10.8634 12.5289 6.07906 16.7305 numMergedOcc 0
11 mol 157 unq 3 iso 0 dist 8.78412 9.04487 10.8634 11.4935 8.72717 17.3806 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 6.09291 7.91434 7.70397 6.22697 7.06772 12.9664 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 6.09291 7.79437 4.8154 6.22697 7.06772 10.1399 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 9.05865 9.53158 4.11212 10.2179 9.66676 6.47164 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 9.35664 8.13947 7.07871 14.1853 9.20541 15.9401 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 9.35664 8.13947 7.07871 6.61517 6.65077 9.24936 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 5.81277 5.86419 5.00854 11.8763 9.79826 11.992 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 8.47833 7.23557 11.1448 6.10058 7.53734 11.992 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 5.05912 7.23557 5.00854 6.10058 9.79826 11.992 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 5.47586 8.86587 11.1448 3.50446 7.53734 11.992 numMergedOcc 0
21 mol 205 unq 4 iso 0 dist 6.60429 8.86587 5.00854 3.50446 9.79826 11.992 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 4.87053 5.89818 4.07008 4.91709 7.99441 8.43195 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 4.87053 5.89818 4.07008 5.96186 6.71817 8.23406 numMergedOcc 0
24 mol 222 unq 2 iso 0 dist 4.87053 5.89818 4.07008 9.55743 8.41524 11.1518 numMergedOcc 0
25 mol 222 unq 3 iso 0 dist 4.87053 9.32543 10.3765 4.91709 7.99441 14.0832 numMergedOcc 0
26 mol 222 unq 4 iso 0 dist 4.87053 9.32543 10.3765 5.96186 6.71817 14.9425 numMergedOcc 0
27 mol 222 unq 5 iso 0 dist 4.87053 9.32543 10.3765 9.55743 8.41524 17.1664 numMergedOcc 0
