0 mol 20 unq 0 iso 0 dist 9.33568 13.2155 8.81141 7.10314 9.74724 12.674 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.33568 13.2155 8.81141 7.32361 9.13347 9.77882 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.56095 9.54812 7.37857 4.656 7.49391 6.5312 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 7.56095 7.33943 4.7978 4.656 7.49391 4.45307 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 8.9136 5.15435 8.08195 15.1121 8.47637 14.4182 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 8.9136 6.10351 5.78587 15.1121 8.47637 9.25982 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.23087 12.1527 5.44028 5.37935 8.32093 13.0221 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.54915 13.3069 6.00564 3.88626 9.43843 14.3481 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.54915 13.3069 6.00564 14.8283 7.67463 4.06365 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.34465 13.7712 9.29087 8.70456 6.69121 14.0343 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 7.22098 7.13575 6.98727 4.88926 7.24101 3.75797 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 8.78761 6.41267 6.49708 3.56704 8.88297 3.94083 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 5.69707 8.58803 6.49708 8.33576 8.88297 3.94083 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 8.75537 6.48054 6.45018 3.56413 8.82984 3.99423 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 5.62239 8.52718 6.45018 8.23832 8.82984 3.99423 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 9.58365 11.3572 6.61386 10.9251 9.82522 9.47921 numMergedOcc 0
16 mol 154 unq 1 iso 0 dist 9.58365 11.3572 6.61386 13.3896 8.50773 3.48213 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 8.81279 12.3496 9.23268 16.6733 9.63062 13.313 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 9.57951 6.57369 9.23268 17.1566 9.63062 13.313 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.57582 4.6907 4.57246 8.4313 8.70007 5.85068 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 8.45077 6.93502 5.04032 3.97296 7.8605 4.12133 numMergedOcc 0
21 mol 285 unq 1 iso 0 dist 8.45077 11.2993 8.48397 3.97296 7.8605 10.1357 numMergedOcc 0
