0 mol 46 unq 0 iso 0 dist 9.27409 5.73909 9.81193 8.79378 6.67753 5.2568 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 5.84625 7.7624 7.88172 15.0691 10.7828 9.78668 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.07989 7.13073 6.34966 8.18214 3.99506 4.90093 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 9.77272 13.7884 6.34966 13.6793 3.99506 4.90093 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.18898 14.8919 7.44343 17.9645 9.8974 9.22123 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.18898 14.8919 7.44343 10.7677 3.87825 7.36335 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.4518 12.7865 8.0955 14.6324 8.98901 7.37377 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.4518 12.7865 8.0955 6.58814 5.73248 9.15802 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.27794 5.80915 7.78223 8.66766 3.67473 9.00059 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.58172 6.87651 9.39811 11.3065 7.16011 6.94015 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.78469 8.34522 9.80549 9.48934 5.16197 7.43587 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 8.01453 7.89112 9.80549 6.41183 5.16197 7.43587 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.58256 12.9239 9.53805 10.1955 5.39534 7.005 numMergedOcc 0
13 mol 237 unq 0 iso 0 dist 8.42502 6.26246 5.62039 9.33231 3.68966 5.12878 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 9.69704 17.557 9.6479 13.0422 5.68255 9.137 numMergedOcc 0
15 mol 253 unq 1 iso 0 dist 9.69704 17.557 9.6479 14.6232 5.57952 8.0127 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.76945 9.43452 8.9316 9.1471 3.96271 9.78064 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.76945 9.43452 8.9316 9.1471 3.96271 9.78064 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.76945 9.43452 8.9316 9.1471 3.96271 9.78064 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 6.60049 9.93138 9.46421 9.52066 4.30125 7.83983 numMergedOcc 0
