0 mol 28 unq 0 iso 0 dist 5.38074 7.98041 7.37857 9.07545 5.59001 4.7978 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.38074 4.08844 8.08195 6.77538 6.54452 5.78587 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.07545 7.98041 4.7978 5.38074 5.59001 7.37857 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 6.77538 4.08844 5.78587 5.38074 6.54452 8.08195 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.58568 8.06019 7.57624 12.3168 16.4468 9.29609 numMergedOcc 0
5 mol 107 unq 0 iso 0 dist 8.13921 4.91158 6.93417 11.0183 7.90217 6.36246 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 8.01587 10.1812 9.36023 10.9152 5.19894 6.88264 numMergedOcc 0
7 mol 140 unq 1 iso 0 dist 8.01587 10.1812 9.36023 14.43 10.5357 9.75537 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 7.13269 7.15698 8.02691 15.6695 12.3323 9.37298 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 8.89822 3.88566 6.03308 11.6034 4.17181 9.04642 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 9.83885 4.13682 9.85415 5.42696 4.96481 6.61806 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 9.83885 10.0576 5.96238 5.42696 4.96481 7.85966 numMergedOcc 0
12 mol 205 unq 2 iso 0 dist 5.42696 4.13682 6.61806 9.83885 4.96481 9.85415 numMergedOcc 0
13 mol 205 unq 3 iso 0 dist 5.42696 10.0576 7.85966 9.83885 4.96481 5.96238 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 5.13453 5.317 9.33639 7.95883 12.258 7.87985 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 7.95883 5.317 7.87985 5.13453 12.258 9.33639 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 6.57207 4.17197 6.5058 5.2361 8.15279 6.77555 numMergedOcc 0
17 mol 252 unq 1 iso 0 dist 5.2361 4.17197 6.77555 6.57207 8.15279 6.5058 numMergedOcc 0
18 mol 252 unq 2 iso 0 dist 5.57515 9.43565 6.77555 12.0339 8.15279 6.5058 numMergedOcc 0
19 mol 252 unq 3 iso 0 dist 8.28694 10.6687 6.77555 15.1632 8.15279 6.5058 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 6.45328 9.96708 9.75798 10.5479 5.67353 7.64992 numMergedOcc 0
