0 mol 26 unq 0 iso 0 dist 9.08976 4.20567 8.62693 7.56492 5.84066 5.23054 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 9.5209 12.9728 7.88576 9.26879 7.11053 5.78495 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 8.9881 12.4026 7.88576 7.64485 7.11053 5.78495 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 7.41523 11.4962 8.91418 5.78606 7.29079 9.00425 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 7.41523 10.7868 6.0961 5.78606 7.29079 12.6048 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.74341 13.6772 8.84323 12.4494 9.1062 5.46563 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.84244 4.61855 8.46477 3.93939 5.81771 3.79201 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 6.32393 7.31124 5.44714 3.66763 5.29949 3.97791 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 9.77482 15.0483 9.58171 11.119 9.94053 5.61881 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.70951 9.12471 8.95838 12.3592 6.55202 5.99531 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.70951 9.12471 8.95838 4.06236 9.08536 11.2265 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 9.70951 14.8806 9.47892 12.3592 6.55202 13.9667 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 9.70951 14.8806 9.47892 4.06236 9.08536 15.453 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 8.80672 3.89328 9.42374 10.7662 5.3819 9.69119 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 7.40764 8.90679 7.83363 5.47357 8.24424 4.98419 numMergedOcc 0
15 mol 233 unq 1 iso 0 dist 7.40764 8.90679 7.83363 5.47592 7.0942 7.08719 numMergedOcc 0
16 mol 233 unq 2 iso 0 dist 7.40764 8.90679 7.83363 3.67394 6.01775 10.7478 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 6.59305 11.9227 9.94175 11.3437 9.38131 10.2069 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 6.59305 5.58605 8.81534 11.3437 9.38131 16.1646 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 9.13022 6.16765 9.46582 5.6469 7.39547 5.17342 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.34653 8.63998 5.66792 6.34948 9.74902 11.2891 numMergedOcc 0
