0 mol 19 unq 0 iso 0 dist 9.47909 10.7817 5.64498 12.9377 3.86173 8.19695 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 9.47909 10.7817 5.64498 12.8718 5.46754 7.02548 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 8.57551 15.4799 9.94082 14.1773 6.50158 8.71752 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 8.57551 15.4799 9.94082 7.96312 5.92112 7.60283 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 9.32506 14.1714 9.94082 12.632 6.50158 8.71752 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 9.32506 14.1714 9.94082 7.67129 5.92112 7.60283 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.22018 6.03786 9.27478 10.3526 10.029 6.04903 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 8.31737 6.03786 6.38768 10.3526 9.53337 6.04903 numMergedOcc 0
8 mol 62 unq 2 iso 0 dist 7.76552 8.22511 6.38768 13.918 9.53337 6.04903 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.96872 3.97167 9.03785 8.83135 6.64001 6.05495 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.20544 5.80806 9.79579 7.81731 11.2619 7.70313 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 7.15255 5.73251 7.26577 10.9439 13.4021 7.41399 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 7.15255 5.73251 7.26577 12.7942 15.0869 8.21165 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 7.15255 5.73251 7.26577 13.0257 10.1259 8.97945 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 7.15255 5.73251 7.26577 10.7389 3.76218 9.50664 numMergedOcc 0
15 mol 133 unq 4 iso 0 dist 7.15255 5.73251 7.26577 8.36723 5.51374 6.71555 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 8.21863 6.16168 8.60089 11.5345 6.05109 8.73468 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 8.21863 6.16168 8.60089 14.2261 9.44448 9.73927 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 8.16324 6.14967 8.54995 11.5855 6.21463 8.73558 numMergedOcc 0
19 mol 150 unq 1 iso 0 dist 8.16324 6.14967 8.54995 14.2195 9.57325 9.66129 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 9.98649 8.08223 7.76954 13.1595 6.9137 8.30984 numMergedOcc 0
21 mol 173 unq 0 iso 0 dist 7.90789 8.94838 6.21271 15.8158 12.8386 8.41245 numMergedOcc 0
22 mol 173 unq 1 iso 0 dist 7.90789 8.94838 6.21271 9.31172 9.00139 6.64779 numMergedOcc 0
23 mol 173 unq 2 iso 0 dist 4.13397 8.94838 8.94895 15.8158 14.5446 8.41245 numMergedOcc 0
24 mol 173 unq 3 iso 0 dist 4.13397 8.94838 8.94895 9.31172 7.55884 6.64779 numMergedOcc 0
25 mol 174 unq 0 iso 0 dist 4.97597 6.26251 6.29723 5.07761 6.19344 7.47932 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 5.67457 8.2618 6.96132 4.88303 4.53585 6.44904 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 7.15389 9.6632 7.06977 9.38952 3.84243 5.80452 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 7.70759 5.97333 7.06977 7.42529 3.84243 5.80452 numMergedOcc 0
