0 mol 15 unq 0 iso 0 dist 7.70482 5.09538 5.20237 9.04489 5.68079 5.04712 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 8.17492 6.8609 9.35912 6.63195 6.89855 10.749 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 8.01351 7.97927 5.78962 9.46631 8.91998 5.4863 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 7.99359 11.3887 9.86842 7.21006 8.40918 4.42208 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.28273 7.26955 7.07421 3.50174 4.4077 6.14663 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 7.28273 7.26955 7.07421 3.98945 8.4874 5.32811 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 9.01762 6.71 7.64085 9.29034 9.99012 5.64264 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 8.07461 9.16007 8.98459 9.37486 9.88912 4.06355 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 8.07461 9.16007 8.98459 3.38564 9.46218 11.8004 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 7.04009 6.20034 9.82329 3.85621 8.43955 9.16459 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.11014 13.0222 9.45847 8.24104 8.5544 15.8504 numMergedOcc 0
11 mol 184 unq 1 iso 0 dist 8.11014 10.629 7.895 8.24104 8.5544 8.94646 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.72113 13.0532 9.08767 4.90099 5.97886 11.6447 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 5.79204 4.97917 6.72499 5.74821 6.33954 5.41858 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 5.79204 5.02653 7.21238 5.74821 6.33954 9.32494 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 6.17408 12.3365 9.09835 3.65952 8.99104 12.64 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 6.17408 9.92669 7.21466 3.65952 8.99104 10.3384 numMergedOcc 0
17 mol 239 unq 2 iso 0 dist 6.17602 13.2575 9.09835 7.05149 8.99104 12.64 numMergedOcc 0
18 mol 239 unq 3 iso 0 dist 6.17602 12.0265 7.21466 7.05149 8.99104 10.3384 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 9.19506 11.0413 7.58833 3.89698 6.62413 7.19269 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 9.19506 6.40966 9.04715 3.89698 6.62413 4.77145 numMergedOcc 0
21 mol 251 unq 0 iso 0 dist 7.73217 10.3544 8.65339 3.46172 8.15014 12.2726 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 8.43749 13.7732 9.56472 3.8221 6.18698 12.1988 numMergedOcc 0
23 mol 265 unq 1 iso 0 dist 8.43749 11.9238 6.5072 3.8221 6.18698 8.25438 numMergedOcc 0
24 mol 265 unq 2 iso 0 dist 8.43749 6.97261 4.03921 3.8221 6.18698 4.75288 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 9.70632 12.8161 9.58577 10.9606 9.32456 3.42311 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.04355 14.8194 8.0935 4.12505 9.31611 14.6969 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 9.04355 14.8194 8.0935 4.12505 9.31611 14.6969 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 9.04355 14.8194 8.0935 4.12505 9.31611 14.6969 numMergedOcc 0
