0 mol 63 unq 0 iso 0 dist 5.07453 7.68366 6.90923 4.49263 8.6677 11.2228 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.50763 7.03773 8.08224 8.77331 8.99536 13.3539 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 9.50763 7.03773 8.08224 8.84883 5.94317 10.5949 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.56288 4.75717 7.51319 14.0998 9.13593 16.5205 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 6.56288 15.811 9.43839 14.0998 9.13593 6.53627 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 5.97559 12.9091 8.66427 14.0998 8.25144 6.38363 numMergedOcc 0
6 mol 85 unq 3 iso 0 dist 5.97559 4.75717 8.49887 14.0998 8.25144 16.5205 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.92653 6.11046 5.23929 6.87756 5.56839 6.79091 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.92653 6.11046 5.23929 5.82092 7.83506 8.71469 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 6.33923 10.001 8.11813 12.6461 9.72371 4.95257 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 8.06631 12.0208 8.50362 4.31676 8.65859 10.1583 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 8.24681 11.1698 9.27714 6.4617 4.6512 7.46548 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 8.24681 11.1698 9.27714 6.41787 9.45696 5.97811 numMergedOcc 0
13 mol 158 unq 2 iso 0 dist 6.51748 10.0941 9.27714 6.99918 4.6512 7.46548 numMergedOcc 0
14 mol 158 unq 3 iso 0 dist 6.51748 10.0941 9.27714 6.83901 9.45696 5.97811 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 8.6212 8.24036 7.00616 6.47507 9.47429 5.87081 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 8.6212 14.358 9.19653 6.47507 9.47429 11.8683 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 5.2862 12.6047 8.2236 9.28495 7.74874 6.50962 numMergedOcc 0
18 mol 284 unq 1 iso 0 dist 5.31097 10.936 8.2236 7.85427 7.74874 6.50962 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.4625 12.5437 8.17436 13.0927 9.25759 13.2009 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.4625 12.5437 8.17436 13.0927 9.25759 13.2009 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.4625 12.5437 8.17436 13.0927 9.25759 13.2009 numMergedOcc 0
