0 mol 85 unq 0 iso 0 dist 9.24862 9.56334 8.15861 11.5742 9.27814 16.3912 numMergedOcc 0
1 mol 85 unq 0 iso 1 dist 9.24862 11.5742 9.27814 9.56334 8.15861 16.3912 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 6.65816 4.51328 8.95766 4.89165 8.6548 5.48001 numMergedOcc 0
3 mol 96 unq 0 iso 1 dist 6.65816 4.89165 8.6548 4.51328 8.95766 5.48001 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 9.61215 8.3346 8.09682 10.1291 8.35926 10.2185 numMergedOcc 0
5 mol 123 unq 0 iso 1 dist 9.61215 10.1291 8.35926 8.3346 8.09682 10.2185 numMergedOcc 0
6 mol 123 unq 1 iso 0 dist 9.61215 8.3346 8.09682 14.6702 7.41568 8.29136 numMergedOcc 0
7 mol 123 unq 1 iso 1 dist 9.61215 14.6702 7.41568 8.3346 8.09682 8.29136 numMergedOcc 0
8 mol 123 unq 1 iso 0 dist 9.61215 10.1291 8.35926 14.6702 7.41568 13.0033 numMergedOcc 0
9 mol 123 unq 1 iso 1 dist 9.61215 14.6702 7.41568 10.1291 8.35926 13.0033 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 6.39885 4.79371 9.43781 10.5496 7.84854 13.4383 numMergedOcc 0
11 mol 165 unq 0 iso 1 dist 6.39885 10.5496 7.84854 4.79371 9.43781 13.4383 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 7.66242 4.99447 8.00223 5.46526 9.60695 4.75543 numMergedOcc 0
13 mol 176 unq 0 iso 1 dist 7.66242 5.46526 9.60695 4.99447 8.00223 4.75543 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 5.76109 8.06206 9.38235 8.81255 8.95509 8.55398 numMergedOcc 0
15 mol 204 unq 0 iso 1 dist 5.76109 8.81255 8.95509 8.06206 9.38235 8.55398 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 7.79856 7.89584 9.60981 6.46602 7.15344 8.15958 numMergedOcc 0
17 mol 204 unq 1 iso 1 dist 7.79856 6.46602 7.15344 7.89584 9.60981 8.15958 numMergedOcc 0
18 mol 204 unq 2 iso 0 dist 7.79856 7.89584 9.60981 8.23616 9.98617 10.064 numMergedOcc 0
19 mol 204 unq 2 iso 1 dist 7.79856 8.23616 9.98617 7.89584 9.60981 10.064 numMergedOcc 0
20 mol 204 unq 2 iso 0 dist 7.79856 6.46602 7.15344 8.23616 9.98617 2.95898 numMergedOcc 0
21 mol 204 unq 2 iso 1 dist 7.79856 8.23616 9.98617 6.46602 7.15344 2.95898 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 6.43416 8.95992 9.08818 10.3622 8.5163 7.80024 numMergedOcc 0
23 mol 218 unq 0 iso 1 dist 6.43416 10.3622 8.5163 8.95992 9.08818 7.80024 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.80478 15.9206 8.15636 14.0034 7.86292 6.88819 numMergedOcc 0
25 mol 287 unq 0 iso 1 dist 7.80478 14.0034 7.86292 15.9206 8.15636 6.88819 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 9.22409 5.19316 8.15636 3.59476 7.86292 6.88819 numMergedOcc 0
27 mol 287 unq 1 iso 1 dist 9.22409 3.59476 7.86292 5.19316 8.15636 6.88819 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.80478 15.9206 8.15636 14.0034 7.86292 6.88819 numMergedOcc 0
29 mol 288 unq 0 iso 1 dist 7.80478 14.0034 7.86292 15.9206 8.15636 6.88819 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 9.22409 5.19316 8.15636 3.59476 7.86292 6.88819 numMergedOcc 0
31 mol 288 unq 1 iso 1 dist 9.22409 3.59476 7.86292 5.19316 8.15636 6.88819 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 7.80478 15.9206 8.15636 14.0034 7.86292 6.88819 numMergedOcc 0
33 mol 289 unq 0 iso 1 dist 7.80478 14.0034 7.86292 15.9206 8.15636 6.88819 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 9.22409 5.19316 8.15636 3.59476 7.86292 6.88819 numMergedOcc 0
35 mol 289 unq 1 iso 1 dist 9.22409 3.59476 7.86292 5.19316 8.15636 6.88819 numMergedOcc 0
