0 mol 20 unq 0 iso 0 dist 9.22796 10.4896 7.99756 14.2727 7.06175 6.09002 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 9.6266 6.56592 5.70939 12.3561 4.59725 8.41542 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.03151 8.28528 5.4713 16.3996 12.3186 9.45756 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.89184 11.7495 6.51117 11.9153 5.16401 9.94407 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.41141 6.74666 9.63906 10.1583 5.74372 8.06267 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.41141 7.20177 7.71872 10.1583 5.74372 5.88334 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 9.17843 4.13866 7.54274 11.4333 3.87365 8.51123 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 7.31364 10.1108 7.54274 11.0982 3.87365 8.51123 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.88175 9.26859 4.55071 12.7943 6.30721 4.80684 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 6.88175 9.26859 4.55071 13.2957 10.5082 7.60162 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 7.49352 5.55879 4.94473 5.22024 4.63567 6.09063 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 5.90339 5.19808 5.42679 7.15087 4.67662 8.04118 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 5.90339 5.19808 5.42679 10.5719 5.81599 8.39035 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 5.21801 10.3305 8.21227 15.9241 13.2594 7.48734 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 5.21801 10.3305 8.21227 14.5837 10.7557 5.6125 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 8.51427 9.2281 8.88902 5.47561 6.84862 5.1609 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 6.57713 9.59133 7.99036 12.3999 6.03044 9.57465 numMergedOcc 0
17 mol 228 unq 0 iso 0 dist 9.96994 11.1565 9.06403 17.5305 9.39743 9.01231 numMergedOcc 0
18 mol 251 unq 0 iso 0 dist 7.95984 15.3453 7.72528 17.7212 11.5298 8.45764 numMergedOcc 0
