0 mol 16 unq 0 iso 0 dist 5.77753 5.38671 7.03948 11.3479 9.87867 6.42835 10.2885 11.7521 5.30082 5.94982 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 8.038 10.7452 6.08338 12.1062 4.28381 5.93898 12.2721 6.93185 10.6971 6.28263 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.18584 9.26483 8.09058 11.6399 8.47849 9.17838 6.98858 9.56852 8.82805 6.07052 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.4154 10.4716 8.70133 10.1662 6.15714 9.73086 11.5412 7.10439 5.11416 6.14542 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.4154 5.2774 4.65521 9.71578 6.10063 8.68662 11.5412 7.10439 6.56633 8.96616 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.4154 5.2774 4.65521 10.1662 6.15714 7.4369 11.5412 7.10439 6.56633 6.14542 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.33489 15.8885 8.94837 11.9489 5.58312 9.00918 5.45341 6.93279 14.2198 7.83568 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 5.64806 11.0287 9.14392 16.798 12.0485 8.97626 15.6507 13.3276 5.50031 9.16358 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 5.64806 11.0287 9.14392 16.798 12.0485 8.97626 12.2591 9.0529 6.89781 9.24038 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 5.59438 9.56234 9.52936 13.5706 11.6883 5.96423 15.1262 12.1114 8.08596 7.58375 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 6.4508 4.91322 6.65984 11.6785 10.9705 8.79428 10.3747 13.7546 7.38836 9.25617 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 6.4508 4.91322 6.65984 11.6785 10.9705 8.79428 15.7733 17.8706 12.4832 9.05276 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 8.11377 5.70988 9.62609 10.7273 11.5454 6.91318 14.9694 19.0662 10.204 9.18728 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 8.11377 5.70988 9.62609 10.7273 11.5454 6.91318 14.9457 14.0608 9.72615 8.91971 numMergedOcc 0
14 mol 227 unq 2 iso 0 dist 8.34104 14.9329 8.17891 11.1592 4.09934 5.23634 16.3489 12.2922 6.35849 9.18728 numMergedOcc 0
15 mol 227 unq 3 iso 0 dist 8.34104 14.9329 8.17891 11.1592 4.09934 5.23634 5.75236 7.57454 10.9607 8.91971 numMergedOcc 0
16 mol 227 unq 4 iso 0 dist 8.34104 13.2783 6.95902 11.1592 4.09934 6.91318 16.3489 12.2922 10.204 9.18728 numMergedOcc 0
17 mol 227 unq 5 iso 0 dist 8.34104 13.2783 6.95902 11.1592 4.09934 6.91318 5.75236 7.57454 9.72615 8.91971 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 8.60471 15.2767 6.98084 8.31344 4.47008 8.19317 13.3219 7.31773 6.82855 8.97952 numMergedOcc 0
19 mol 235 unq 1 iso 0 dist 8.60471 11.9322 7.32211 8.31344 4.47008 5.1823 13.3219 7.31773 6.46722 8.97952 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 9.91556 15.9601 8.80086 13.811 6.0473 6.59244 18.286 12.6079 4.34713 9.30531 numMergedOcc 0
