0 mol 33 unq 0 iso 0 dist 8.87925 6.89792 5.74739 11.4111 9.81889 9.37297 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 8.07365 15.5913 9.02255 19.6395 12.0894 6.76306 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 9.23803 5.95276 6.929 11.19 8.98235 7.08275 numMergedOcc 0
3 mol 109 unq 1 iso 0 dist 9.26438 12.0163 5.8729 10.6637 4.94374 7.3607 numMergedOcc 0
4 mol 109 unq 2 iso 0 dist 6.43255 3.6217 5.8729 9.44485 4.94374 7.3607 numMergedOcc 0
5 mol 109 unq 3 iso 0 dist 7.4389 6.64703 5.8729 10.8663 4.94374 7.3607 numMergedOcc 0
6 mol 109 unq 4 iso 0 dist 7.24527 6.64703 6.73551 10.8663 4.87406 7.3607 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.66715 3.84472 6.70271 8.58727 5.34829 5.99206 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.66715 3.84472 6.70271 10.308 9.47995 7.4615 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 9.00172 3.84472 6.2109 8.58727 9.67676 5.99206 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 9.00172 3.84472 6.2109 10.308 10.9364 7.4615 numMergedOcc 0
11 mol 133 unq 4 iso 0 dist 8.95433 14.5262 6.70271 14.171 5.34829 5.99206 numMergedOcc 0
12 mol 133 unq 5 iso 0 dist 8.95433 14.5262 6.70271 18.3933 9.47995 7.4615 numMergedOcc 0
13 mol 172 unq 0 iso 0 dist 7.63635 5.46713 9.73187 12.4534 16.2036 7.25403 numMergedOcc 0
14 mol 172 unq 1 iso 0 dist 7.63635 5.46713 9.73187 8.87108 5.62946 7.42796 numMergedOcc 0
15 mol 172 unq 2 iso 0 dist 9.94649 5.46713 9.8064 12.4534 12.8236 7.25403 numMergedOcc 0
16 mol 172 unq 3 iso 0 dist 9.94649 5.46713 9.8064 8.87108 8.80037 7.42796 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 8.14754 4.44482 6.7946 11.2091 5.95421 7.99439 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 9.51272 5.7772 5.16817 12.2077 4.99605 6.6746 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.61741 5.03854 7.67993 11.0625 7.91261 9.52092 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 9.61741 5.03854 7.67993 10.3505 5.20031 6.79741 numMergedOcc 0
21 mol 266 unq 2 iso 0 dist 5.61056 5.03854 8.03669 11.0625 9.16584 9.52092 numMergedOcc 0
22 mol 266 unq 3 iso 0 dist 5.61056 5.03854 8.03669 10.3505 9.62 6.79741 numMergedOcc 0
23 mol 271 unq 0 iso 0 dist 7.9494 6.98771 9.24279 9.22385 5.71631 6.50401 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.23956 13.9612 8.61945 18.7504 15.5667 9.73489 numMergedOcc 0
