0 mol 37 unq 0 iso 0 dist 6.69711 5.49728 9.98549 7.7568 9.08524 5.98359 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 9.30041 14.4257 9.98549 15.4713 9.08524 5.98359 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 6.94997 4.2645 8.24791 8.43093 5.04401 8.63569 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 6.98838 7.17073 9.0321 9.4046 6.64721 6.41105 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.57958 13.3114 6.58062 9.93688 5.02124 4.85152 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 4.74654 5.36117 8.86001 5.33644 5.17028 8.23566 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.96057 15.509 8.90311 19.8582 14.8365 8.592 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 8.45395 7.56512 9.30874 6.13872 9.80135 8.03259 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 9.15368 8.66681 9.30874 10.1001 9.80135 8.03259 numMergedOcc 0
9 mol 181 unq 2 iso 0 dist 9.20477 5.49645 9.30874 11.3254 9.80135 8.03259 numMergedOcc 0
10 mol 181 unq 3 iso 0 dist 5.41368 7.56512 5.54873 6.13872 4.97806 8.03259 numMergedOcc 0
11 mol 181 unq 4 iso 0 dist 7.96182 8.66681 5.54873 10.1001 4.97806 8.03259 numMergedOcc 0
12 mol 181 unq 5 iso 0 dist 7.90237 5.49645 5.54873 11.3254 4.97806 8.03259 numMergedOcc 0
13 mol 219 unq 0 iso 0 dist 7.15624 6.28221 9.69976 9.52151 10.277 7.98941 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.79085 15.5993 8.94854 17.4391 10.5464 4.46314 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 6.48753 12.3945 8.94854 14.8733 10.5464 4.46314 numMergedOcc 0
16 mol 232 unq 2 iso 0 dist 7.83802 9.23171 8.94854 12.6677 10.5464 4.46314 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.88122 8.63742 5.72415 12.7735 5.1967 6.32593 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 5.66792 4.53635 6.31114 8.68803 7.4709 8.01565 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.62431 8.77987 9.89613 8.26851 4.05661 7.24089 numMergedOcc 0
