0 mol 54 unq 0 iso 0 dist 6.54052 9.45804 5.7405 4.22514 5.01159 6.10175 numMergedOcc 0
1 mol 108 unq 0 iso 0 dist 8.50992 10.135 8.06774 13.0439 5.83671 7.58484 numMergedOcc 0
2 mol 108 unq 1 iso 0 dist 8.00008 10.6042 8.06774 12.4929 5.83671 7.58484 numMergedOcc 0
3 mol 108 unq 2 iso 0 dist 7.79698 7.02959 8.06774 11.2768 5.83671 7.58484 numMergedOcc 0
4 mol 108 unq 3 iso 0 dist 7.18748 9.65124 8.06774 10.005 5.83671 7.58484 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 8.19198 4.65731 9.37051 9.9815 4.36082 9.38035 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 8.19294 4.59384 5.05277 12.0385 9.33864 8.26291 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 8.19294 4.59384 5.05277 7.71664 5.6007 7.86001 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.93424 13.0903 7.35385 15.4995 13.1683 8.51265 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.8891 13.0903 8.35864 15.4995 9.00056 8.51265 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.70622 4.44449 6.53696 8.89388 6.22904 7.2067 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 9.13228 13.0222 5.0207 13.8657 4.84884 5.13722 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.9312 13.5387 9.99783 15.4985 6.75301 7.72242 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 6.77983 6.05626 9.82224 7.13192 5.35985 9.16852 numMergedOcc 0
14 mol 193 unq 1 iso 0 dist 6.77983 6.05626 9.82224 11.7156 9.89855 8.6538 numMergedOcc 0
15 mol 193 unq 2 iso 0 dist 6.77983 6.05626 9.82224 10.7628 12.9817 5.19654 numMergedOcc 0
16 mol 193 unq 3 iso 0 dist 7.06538 6.05626 8.95886 7.13192 12.1335 9.16852 numMergedOcc 0
17 mol 193 unq 4 iso 0 dist 7.06538 6.05626 8.95886 11.7156 13.8215 8.6538 numMergedOcc 0
18 mol 193 unq 5 iso 0 dist 7.06538 6.05626 8.95886 10.7628 10.7013 5.19654 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.62513 9.01559 9.9144 6.9486 4.63072 8.66222 numMergedOcc 0
20 mol 256 unq 0 iso 0 dist 5.2801 12.6693 7.40057 16.6739 12.3321 8.11884 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.7625 6.7593 5.92532 11.8359 13.008 9.42812 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 8.83246 12.239 9.7659 15.9966 9.61922 6.9719 numMergedOcc 0
