0 mol 10 unq 0 iso 0 dist 7.3489 7.74463 5.04413 9.3275 12.1215 8.09253 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 7.71924 9.64034 13.6509 6.69806 12.5461 8.58191 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 8.47497 7.7124 4.61635 8.30958 11.9925 9.6266 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.00677 8.67352 5.15743 13.0445 13.9143 9.63348 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.02854 6.14248 8.66335 8.50377 7.71596 9.78762 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 7.07421 8.85652 4.79473 13.2909 12.6621 8.46972 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 7.9663 9.67398 9.69908 12.7708 17.5652 9.58844 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 7.85526 5.20195 4.77133 5.57607 7.94564 6.41759 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 5.33543 5.20195 4.56331 5.57607 9.21999 6.41759 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.47945 9.67711 12.6471 14.3635 20.2402 8.09699 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 5.97008 6.95244 5.48443 8.90271 7.13369 8.51691 numMergedOcc 0
11 mol 219 unq 0 iso 0 dist 4.67452 8.3704 5.05436 7.61939 7.98941 8.72479 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 7.47122 8.57781 3.56689 6.1168 7.46044 5.88041 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 6.6537 5.36326 3.56689 9.80029 7.46044 5.88041 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 9.08719 5.36326 11.4272 9.80029 17.2648 5.88041 numMergedOcc 0
15 mol 224 unq 3 iso 0 dist 8.32298 9.09697 5.05503 9.90735 10.9833 6.57713 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.59937 7.98794 3.80345 8.46058 8.01565 6.0567 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 8.57035 7.03656 7.23238 9.38222 13.7267 9.44618 numMergedOcc 0
18 mol 279 unq 1 iso 0 dist 7.2783 9.24104 12.5851 6.25345 12.2322 5.41277 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 7.53773 9.83098 14.4652 10.6738 17.2111 5.63358 numMergedOcc 0
