0 mol 8 unq 0 iso 0 dist 9.95165 15.9496 6.82379 16.5394 8.64248 6.56356 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 8.14598 4.47891 7.95042 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.78356 14.6957 8.63486 22.386 15.8558 9.2898 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 7.4674 12.7297 7.55695 13.0236 5.71764 8.4312 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 7.4674 14.5723 8.82176 19.0156 12.9345 9.95132 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 7.4674 14.5723 8.82176 13.0236 5.71764 7.48086 numMergedOcc 0
6 mol 60 unq 3 iso 0 dist 8.4928 10.0675 7.55695 12.3852 5.71764 8.4312 numMergedOcc 0
7 mol 60 unq 4 iso 0 dist 8.4928 14.3334 8.82176 20.6073 12.9345 9.95132 numMergedOcc 0
8 mol 60 unq 5 iso 0 dist 8.4928 14.3334 8.82176 12.3852 5.71764 7.48086 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.924 3.85308 7.33422 10.8478 6.33204 7.7068 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 6.14415 6.89762 7.12017 13.3196 13.4027 7.82475 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.14415 6.89762 7.12017 11.3211 12.068 5.35782 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 9.08671 13.2962 8.67766 17.7664 9.03468 9.77497 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 9.08671 10.223 8.0831 17.3273 11.0597 9.89083 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 14.5979 7.27912 7.69765 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 8.99731 7.64822 5.72642 14.1895 10.5109 9.42082 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 4.85559 7.09664 8.33077 9.67398 6.76477 6.93139 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 6.87562 9.03539 8.33077 10.5464 6.76477 6.93139 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 9.40483 4.71678 6.59889 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 9.19078 7.17016 9.77552 12.3659 7.11377 8.9192 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 9.19078 11.3742 8.28642 9.40483 4.71678 6.70693 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 4.97005 10.0248 7.24795 9.76574 9.40383 8.73533 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 5.46768 7.00308 6.60567 13.1403 9.48862 7.41662 numMergedOcc 0
23 mol 195 unq 1 iso 0 dist 5.46768 5.34788 7.62942 11.9351 8.89297 9.03441 numMergedOcc 0
24 mol 207 unq 0 iso 0 dist 7.21449 11.0577 7.96797 11.2629 5.47626 5.12567 numMergedOcc 0
25 mol 207 unq 1 iso 0 dist 7.21449 11.0577 7.96797 13.049 7.64813 6.0563 numMergedOcc 0
26 mol 207 unq 2 iso 0 dist 7.21449 11.0577 7.96797 16.1656 11.9725 8.1244 numMergedOcc 0
27 mol 207 unq 3 iso 0 dist 9.22778 15.6632 7.96797 14.6198 5.47626 5.12567 numMergedOcc 0
28 mol 207 unq 4 iso 0 dist 9.22778 15.6632 7.96797 15.4025 7.64813 6.0563 numMergedOcc 0
29 mol 207 unq 5 iso 0 dist 9.22778 15.6632 7.96797 18.7318 11.9725 8.1244 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 9.05206 8.99603 7.63018 8.25288 6.75621 8.63693 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 7.00547 5.93967 9.18895 10.5761 6.47351 9.7982 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 8.768 6.89798 6.6561 8.94981 6.35462 6.50998 numMergedOcc 0
33 mol 225 unq 2 iso 0 dist 8.768 6.89798 6.6561 5.90986 5.94765 9.09424 numMergedOcc 0
34 mol 225 unq 3 iso 0 dist 8.768 6.89798 6.6561 7.50697 11.2847 8.14831 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 15.4793 7.3164 5.23634 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 9.33735 10.8811 5.4694 15.4793 7.3164 6.91318 numMergedOcc 0
37 mol 229 unq 0 iso 0 dist 9.3376 12.696 8.92743 9.10498 6.93188 7.27993 numMergedOcc 0
38 mol 229 unq 1 iso 0 dist 9.3376 6.44004 5.77318 9.10498 6.93188 6.95201 numMergedOcc 0
39 mol 285 unq 0 iso 0 dist 7.06878 5.93692 5.31728 13.1783 8.05127 7.80862 numMergedOcc 0
