0 mol 26 unq 0 iso 0 dist 8.90473 4.9737 5.81765 10.0227 8.6385 10.9962 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 6.84521 9.35453 10.7805 10.0977 8.44903 17.7352 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.9795 5.20528 9.29301 11.5334 7.1589 8.70863 numMergedOcc 0
3 mol 96 unq 0 iso 0 dist 6.21351 5.19438 5.04559 7.06723 5.92032 7.3964 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 6.43255 9.88541 9.29894 5.55157 5.34214 13.2164 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 8.86938 8.65004 11.8396 13.5573 6.47042 16.6731 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 8.86938 9.86487 18.0868 13.5573 6.47042 22.5139 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 4.9155 7.85849 5.71679 7.07077 5.53031 10.0154 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 9.42271 6.08299 5.71679 10.7289 5.53031 10.0154 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 7.34207 8.85675 5.27847 6.03671 7.72144 6.51014 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.27794 6.02094 10.2585 8.07046 7.20392 13.3005 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.52413 8.34668 15.1778 12.1191 9.83476 14.2193 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.52413 8.34668 15.1778 10.0766 6.258 17.9182 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 9.52413 8.76308 8.14815 12.1191 9.83476 15.5234 numMergedOcc 0
14 mol 186 unq 3 iso 0 dist 9.52413 8.76308 8.14815 10.0766 6.258 11.0802 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 5.60236 8.08581 5.5163 6.49782 6.39158 11.4177 numMergedOcc 0
16 mol 235 unq 1 iso 0 dist 9.03917 5.98104 5.5163 12.526 6.39158 11.4177 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 9.13226 6.74022 5.29529 12.9095 9.56685 8.2997 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 9.13226 6.74022 5.29529 16.3353 8.49922 10.4781 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.151 6.71956 6.28695 6.63088 6.57903 7.85414 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 8.33653 8.51221 10.4903 10.471 5.31728 12.9775 numMergedOcc 0
