0 mol 28 unq 0 iso 0 dist 8.43134 8.76563 6.75443 10.1279 6.18197 8.48456 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.43134 15.1628 9.02508 21.3505 13.6562 7.24073 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.43134 13.148 8.44081 19.0954 12.3614 8.24422 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.43134 13.148 8.44081 15.398 9.5295 8.99724 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.45041 6.66837 6.93878 13.5745 7.68244 8.67141 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 6.62176 4.6483 8.1123 7.48334 4.24825 9.56188 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 9.13068 10.9999 6.29224 15.9247 7.13132 8.71026 numMergedOcc 0
7 mol 96 unq 1 iso 0 dist 7.93114 8.19733 7.97907 9.39344 5.37962 7.64192 numMergedOcc 0
8 mol 96 unq 2 iso 0 dist 9.56302 10.7246 7.97907 13.7515 5.37962 7.64192 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.9898 4.9015 7.4348 11.7177 13.5908 8.88401 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 5.4104 7.39545 9.83003 6.45731 5.54195 6.93718 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 9.13146 10.4554 9.82683 11.8682 5.25253 8.2817 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 7.79058 10.4493 7.68999 10.4472 4.44794 6.86281 numMergedOcc 0
13 mol 271 unq 0 iso 0 dist 6.67008 5.22029 7.88092 6.56531 6.04262 5.76281 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 9.1299 7.01799 6.75269 12.1746 10.0056 9.30394 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 9.1299 7.01799 6.75269 6.99084 5.87826 8.5458 numMergedOcc 0
16 mol 287 unq 2 iso 0 dist 9.1299 7.01799 6.75269 5.1936 6.18486 8.47385 numMergedOcc 0
17 mol 287 unq 3 iso 0 dist 9.1299 7.01799 6.75269 9.09358 9.62966 8.44356 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 9.1299 7.01799 6.75269 12.1746 10.0056 9.30394 numMergedOcc 0
19 mol 288 unq 1 iso 0 dist 9.1299 7.01799 6.75269 6.99084 5.87826 8.5458 numMergedOcc 0
20 mol 288 unq 2 iso 0 dist 9.1299 7.01799 6.75269 5.1936 6.18486 8.47385 numMergedOcc 0
21 mol 288 unq 3 iso 0 dist 9.1299 7.01799 6.75269 9.09358 9.62966 8.44356 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 9.1299 7.01799 6.75269 12.1746 10.0056 9.30394 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 9.1299 7.01799 6.75269 6.99084 5.87826 8.5458 numMergedOcc 0
24 mol 289 unq 2 iso 0 dist 9.1299 7.01799 6.75269 5.1936 6.18486 8.47385 numMergedOcc 0
25 mol 289 unq 3 iso 0 dist 9.1299 7.01799 6.75269 9.09358 9.62966 8.44356 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 8.79534 16.7838 9.83069 9.00901 6.49126 8.46311 numMergedOcc 0
27 mol 294 unq 1 iso 0 dist 6.78706 5.23252 9.83069 8.46132 6.49126 8.46311 numMergedOcc 0
