0 mol 37 unq 0 iso 0 dist 8.94824 5.33133 7.23016 10.4749 8.28713 5.21001 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.66493 7.94092 5.74014 5.99169 7.61513 9.33927 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.75432 7.90724 9.09269 6.37499 8.19721 11.5076 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.24764 10.7669 9.24862 5.40682 7.52742 10.9926 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 7.05183 6.51561 6.65816 6.82989 6.89038 6.63117 numMergedOcc 0
5 mol 125 unq 0 iso 0 dist 8.87869 11.6873 9.505 14.1129 7.0188 9.1432 numMergedOcc 0
6 mol 125 unq 1 iso 0 dist 8.87869 7.81899 5.33187 14.1129 7.0188 6.82442 numMergedOcc 0
7 mol 125 unq 2 iso 0 dist 7.69802 11.6965 9.505 4.65816 7.0188 9.1432 numMergedOcc 0
8 mol 125 unq 3 iso 0 dist 7.69802 7.09981 5.33187 4.65816 7.0188 6.82442 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 5.58048 4.58664 6.06892 8.49636 7.37431 10.5943 numMergedOcc 0
10 mol 278 unq 0 iso 0 dist 4.8627 5.51026 5.76372 4.25803 7.81282 8.78056 numMergedOcc 0
11 mol 278 unq 1 iso 0 dist 5.41035 5.51026 6.25295 4.25803 6.08019 8.78056 numMergedOcc 0
12 mol 287 unq 0 iso 0 dist 8.62338 14.1569 7.80478 5.22713 5.06731 11.5033 numMergedOcc 0
13 mol 287 unq 1 iso 0 dist 8.62338 10.5644 9.22409 5.22713 5.06731 6.81421 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 8.62338 14.1569 7.80478 5.22713 5.06731 11.5033 numMergedOcc 0
15 mol 288 unq 1 iso 0 dist 8.62338 10.5644 9.22409 5.22713 5.06731 6.81421 numMergedOcc 0
16 mol 289 unq 0 iso 0 dist 8.62338 14.1569 7.80478 5.22713 5.06731 11.5033 numMergedOcc 0
17 mol 289 unq 1 iso 0 dist 8.62338 10.5644 9.22409 5.22713 5.06731 6.81421 numMergedOcc 0
