0 mol 93 unq 0 iso 0 dist 7.4518 3.91263 7.28831 9.82649 4.37353 9.19977 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 7.4518 3.91263 7.28831 9.1687 12.5773 9.71411 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 9.1687 3.91263 9.71411 9.82649 11.3265 9.19977 numMergedOcc 0
3 mol 93 unq 3 iso 0 dist 9.1687 3.91263 9.71411 7.4518 12.5773 7.28831 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 8.23777 3.82552 5.36587 9.32042 6.44444 8.06134 numMergedOcc 0
5 mol 135 unq 0 iso 0 dist 5.43728 5.46698 7.28318 9.71735 6.35752 7.17599 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 5.60184 5.18463 8.71789 7.08477 6.92308 5.2693 numMergedOcc 0
7 mol 154 unq 1 iso 0 dist 7.08477 5.18463 5.2693 5.60184 6.92308 8.71789 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 5.51388 14.6592 9.15283 9.43938 4.2485 6.0859 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 8.17917 13.7799 9.15283 10.1612 4.2485 6.0859 numMergedOcc 0
10 mol 169 unq 2 iso 0 dist 8.68909 11.1071 9.15283 10.6152 4.2485 6.0859 numMergedOcc 0
11 mol 170 unq 0 iso 0 dist 9.53158 10.2179 6.47164 12.7875 6.24983 9.65126 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.95568 7.62237 9.88897 10.5689 9.87773 9.06571 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.07527 8.32063 9.43306 14.9148 9.53592 8.4848 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 8.03512 3.86206 9.32959 10.0521 6.36327 8.64056 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 9.79381 11.9758 6.94762 14.8984 5.51027 7.7086 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 8.37379 12.7552 6.94762 13.5173 5.51027 7.7086 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 9.78826 13.255 5.61969 10.6291 4.4844 9.0277 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 6.81257 3.86293 9.03998 10.9277 12.8994 7.67837 numMergedOcc 0
19 mol 278 unq 1 iso 0 dist 9.21145 11.7249 7.67837 20.1571 12.8994 9.03998 numMergedOcc 0
