0 mol 12 unq 0 iso 0 dist 6.13335 4.85969 4.13477 4.46781 9.41745 7.8865 9.3276 8.79013 9.79847 8.10227 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.57343 6.46901 10.0786 11.6128 9.31319 15.9435 12.7344 9.72136 15.1676 13.1434 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 9.57343 6.46901 10.0786 11.6128 9.31319 15.9435 13.9221 4.61355 14.3019 10.9054 numMergedOcc 0
3 mol 46 unq 2 iso 0 dist 9.57343 6.46901 10.0786 6.124 8.2513 9.77553 12.7344 9.72136 15.1676 14.5035 numMergedOcc 0
4 mol 46 unq 3 iso 0 dist 9.57343 6.46901 10.0786 6.124 8.2513 9.77553 13.9221 4.61355 14.3019 12.3186 numMergedOcc 0
5 mol 46 unq 4 iso 0 dist 9.57343 9.30547 5.79552 11.6128 9.31319 14.405 12.7344 9.72136 10.2405 13.1434 numMergedOcc 0
6 mol 46 unq 5 iso 0 dist 9.57343 9.30547 5.79552 11.6128 9.31319 14.405 13.9221 4.61355 8.55202 10.9054 numMergedOcc 0
7 mol 46 unq 6 iso 0 dist 9.57343 9.30547 5.79552 6.124 8.2513 11.2009 12.7344 9.72136 10.2405 14.5035 numMergedOcc 0
8 mol 46 unq 7 iso 0 dist 9.57343 9.30547 5.79552 6.124 8.2513 11.2009 13.9221 4.61355 8.55202 12.3186 numMergedOcc 0
9 mol 70 unq 0 iso 0 dist 9.28709 9.2794 9.10017 9.17087 7.95122 14.7158 15.9426 8.55467 17.5042 8.70781 numMergedOcc 0
10 mol 70 unq 1 iso 0 dist 9.28709 9.2794 9.10017 5.33532 9.74268 13.5946 15.9426 8.55467 17.5042 13.4238 numMergedOcc 0
11 mol 81 unq 0 iso 0 dist 6.99027 9.12919 4.79903 5.60367 8.93196 12.7796 6.10195 7.062 8.38883 7.50394 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 6.12598 8.3907 8.66482 5.24418 7.43775 12.7506 6.16219 5.42764 11.0369 4.0204 numMergedOcc 0
13 mol 122 unq 1 iso 0 dist 6.12598 8.3907 8.66482 9.66073 8.09594 14.7873 6.16219 5.42764 11.0369 3.90443 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 9.06373 6.9952 4.81545 4.4932 8.87148 8.67193 8.03795 8.18122 10.119 4.1335 numMergedOcc 0
15 mol 123 unq 1 iso 0 dist 9.06373 9.30054 11.2125 4.4932 8.87148 12.7623 8.03795 8.18122 14.4351 4.1335 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 6.2587 6.38338 7.88871 9.05051 9.22576 11.3387 9.8719 7.74312 10.251 4.13216 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 6.2587 6.38338 7.88871 9.05051 9.22576 11.3387 9.8719 7.74312 10.251 4.13216 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 6.2587 6.38338 7.88871 9.05051 9.22576 11.3387 9.8719 7.74312 10.251 4.13216 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.01956 9.05047 10.846 4.36479 6.8133 12.2925 6.81187 6.98961 13.9019 5.50627 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 8.01956 7.24072 9.02523 4.36479 6.8133 9.6898 6.81187 6.98961 12.5194 5.50627 numMergedOcc 0
