0 mol 30 unq 0 iso 0 dist 6.40398 10.1033 8.58568 12.0105 7.57624 8.06019 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.94459 9.67231 8.80104 3.89292 5.44028 6.29218 numMergedOcc 0
2 mol 74 unq 0 iso 0 dist 6.2442 5.2745 4.79413 6.21588 8.12551 9.7556 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 6.90574 13.9086 7.92876 13.2471 6.63857 4.81641 numMergedOcc 0
4 mol 171 unq 0 iso 0 dist 9.95454 7.76433 5.73148 14.1854 7.75632 10.2914 numMergedOcc 0
5 mol 205 unq 0 iso 0 dist 9.88251 8.36623 5.42696 5.58553 6.61806 4.13682 numMergedOcc 0
6 mol 205 unq 1 iso 0 dist 9.88251 8.36623 5.42696 9.00592 7.85966 10.0576 numMergedOcc 0
7 mol 230 unq 0 iso 0 dist 6.47064 10.353 8.85215 12.6326 7.74885 10.0105 numMergedOcc 0
8 mol 240 unq 0 iso 0 dist 5.46783 12.0688 8.33853 8.09307 7.35934 9.47269 numMergedOcc 0
9 mol 240 unq 1 iso 0 dist 5.46783 5.53988 5.66537 8.09307 7.35934 7.29448 numMergedOcc 0
10 mol 252 unq 0 iso 0 dist 8.62351 7.02444 5.2361 11.1756 6.77555 4.17197 numMergedOcc 0
11 mol 252 unq 1 iso 0 dist 8.62351 13.7396 5.57515 11.1756 6.77555 9.43565 numMergedOcc 0
12 mol 252 unq 2 iso 0 dist 8.62351 14.6186 8.28694 11.1756 6.77555 10.6687 numMergedOcc 0
13 mol 252 unq 3 iso 0 dist 9.44744 8.26489 6.57207 5.43646 6.5058 4.17197 numMergedOcc 0
14 mol 252 unq 4 iso 0 dist 6.94319 8.26489 5.2361 5.43646 6.77555 4.17197 numMergedOcc 0
15 mol 252 unq 5 iso 0 dist 6.94319 5.76518 5.57515 5.43646 6.77555 9.43565 numMergedOcc 0
16 mol 252 unq 6 iso 0 dist 6.94319 7.48536 8.28694 5.43646 6.77555 10.6687 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 5.67349 9.66751 9.24121 9.92631 7.75255 14.3809 numMergedOcc 0
18 mol 261 unq 1 iso 0 dist 5.67349 9.66751 9.24121 13.2937 8.96013 15.1504 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 5.84259 7.653 6.98048 6.42354 9.28899 4.86323 numMergedOcc 0
