0 mol 42 unq 0 iso 0 dist 9.19217 9.83301 8.14608 8.6764 14.3866 8.84148 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.43268 8.53459 6.29913 5.83259 10.9061 6.79881 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.6545 8.77199 4.13365 5.91098 6.71884 9.30367 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 8.14341 8.77199 12.1094 5.91098 11.3956 9.30367 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 9.25793 8.60438 7.89197 4.77259 8.48921 6.6146 numMergedOcc 0
5 mol 160 unq 0 iso 0 dist 7.34242 8.83016 4.62125 7.32507 8.54789 8.87648 numMergedOcc 0
6 mol 229 unq 0 iso 0 dist 8.12807 5.95601 6.96924 5.01153 8.80245 8.36396 numMergedOcc 0
7 mol 239 unq 0 iso 0 dist 7.14047 7.04478 5.77901 5.16822 5.69868 6.00654 numMergedOcc 0
8 mol 239 unq 1 iso 0 dist 9.29151 8.4319 11.487 6.72716 15.3196 9.59937 numMergedOcc 0
9 mol 241 unq 0 iso 0 dist 6.8951 9.82576 6.5604 10.1581 12.8152 9.174 numMergedOcc 0
10 mol 249 unq 0 iso 0 dist 8.98696 8.21137 7.05054 7.6558 8.9281 6.18866 numMergedOcc 0
11 mol 249 unq 1 iso 0 dist 8.98696 8.21137 7.05054 11.1949 14.0267 9.3807 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 7.38265 9.27225 5.83092 4.49451 7.42888 8.97411 numMergedOcc 0
13 mol 281 unq 0 iso 0 dist 6.52115 8.80931 11.8486 5.59865 11.5643 6.7897 numMergedOcc 0
14 mol 285 unq 0 iso 0 dist 9.25959 4.9851 7.74572 4.21241 10.531 8.70702 numMergedOcc 0
15 mol 285 unq 1 iso 0 dist 9.25959 4.9851 7.74572 11.6648 15.8992 9.43706 numMergedOcc 0
16 mol 285 unq 2 iso 0 dist 9.25959 4.9851 7.74572 10.4106 12.9286 9.3482 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 7.51626 5.10476 5.52829 5.38959 12.3869 8.0661 numMergedOcc 0
