0 mol 24 unq 0 iso 0 dist 8.15652 8.23069 4.93188 8.59466 9.24958 12.3067 8.8555 4.87192 7.6222 11.7026 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.15652 8.59466 9.24958 8.23069 4.93188 12.3067 8.8555 4.87192 11.7026 7.6222 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.44893 9.67461 4.93188 14.0586 9.24958 12.3067 5.09348 4.87192 7.6222 11.7026 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.44893 14.0586 9.24958 9.67461 4.93188 12.3067 5.09348 4.87192 11.7026 7.6222 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 6.40398 10.9094 8.7817 11.8694 7.55415 5.26258 12.0105 7.57624 14.3077 10.3139 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 6.40398 11.8694 7.55415 10.9094 8.7817 5.26258 12.0105 7.57624 10.3139 14.3077 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.9387 10.4339 8.67766 4.91393 8.0831 6.48636 6.38149 7.04752 9.44195 4.26194 numMergedOcc 0
7 mol 109 unq 0 iso 1 dist 9.9387 4.91393 8.0831 10.4339 8.67766 6.48636 6.38149 7.04752 4.26194 9.44195 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 9.95454 6.5015 7.71426 6.1522 5.10618 7.31409 14.1854 7.75632 8.62666 11.8746 numMergedOcc 0
9 mol 171 unq 0 iso 1 dist 9.95454 6.1522 5.10618 6.5015 7.71426 7.31409 14.1854 7.75632 11.8746 8.62666 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 9.95454 6.5015 7.71426 16.1675 9.86681 13.6814 14.1854 7.75632 8.62666 9.0509 numMergedOcc 0
11 mol 171 unq 1 iso 1 dist 9.95454 16.1675 9.86681 6.5015 7.71426 13.6814 14.1854 7.75632 9.0509 8.62666 numMergedOcc 0
12 mol 171 unq 1 iso 0 dist 9.95454 6.1522 5.10618 16.1675 9.86681 13.7214 14.1854 7.75632 11.8746 9.0509 numMergedOcc 0
13 mol 171 unq 1 iso 1 dist 9.95454 16.1675 9.86681 6.1522 5.10618 13.7214 14.1854 7.75632 9.0509 11.8746 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 9.88251 14.4147 8.44861 13.9684 5.60393 7.38516 5.58553 6.61806 12.2848 9.41884 numMergedOcc 0
15 mol 205 unq 0 iso 1 dist 9.88251 13.9684 5.60393 14.4147 8.44861 7.38516 5.58553 6.61806 9.41884 12.2848 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 9.88251 14.4147 8.44861 13.9684 5.60393 7.38516 9.00592 7.85966 9.73907 12.3578 numMergedOcc 0
17 mol 205 unq 1 iso 1 dist 9.88251 13.9684 5.60393 14.4147 8.44861 7.38516 9.00592 7.85966 12.3578 9.73907 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 6.47064 10.7614 9.09271 11.777 7.44838 5.53477 12.6326 7.74885 15.5042 11.3478 numMergedOcc 0
19 mol 230 unq 0 iso 1 dist 6.47064 11.777 7.44838 10.7614 9.09271 5.53477 12.6326 7.74885 11.3478 15.5042 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 5.46783 14.5429 9.47583 13.8996 8.44909 4.28414 8.09307 7.35934 11.6095 11.9494 numMergedOcc 0
21 mol 240 unq 0 iso 1 dist 5.46783 13.8996 8.44909 14.5429 9.47583 4.28414 8.09307 7.35934 11.9494 11.6095 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 8.62351 6.79111 8.47784 14.2609 8.66469 13.2361 11.1756 6.77555 7.15243 7.18984 numMergedOcc 0
23 mol 252 unq 0 iso 1 dist 8.62351 14.2609 8.66469 6.79111 8.47784 13.2361 11.1756 6.77555 7.18984 7.15243 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 6.94319 11.8815 8.47784 5.29359 8.66469 13.2361 5.43646 6.77555 7.15243 7.18984 numMergedOcc 0
25 mol 252 unq 1 iso 1 dist 6.94319 5.29359 8.66469 11.8815 8.47784 13.2361 5.43646 6.77555 7.18984 7.15243 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 5.67349 4.63237 5.26434 6.39263 8.60026 7.00201 9.92631 7.75255 7.83541 14.5304 numMergedOcc 0
27 mol 261 unq 0 iso 1 dist 5.67349 6.39263 8.60026 4.63237 5.26434 7.00201 9.92631 7.75255 14.5304 7.83541 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 5.67349 4.63237 5.26434 6.39263 8.60026 7.00201 13.2937 8.96013 10.6727 16.5975 numMergedOcc 0
29 mol 261 unq 1 iso 1 dist 5.67349 6.39263 8.60026 4.63237 5.26434 7.00201 13.2937 8.96013 16.5975 10.6727 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 9.03362 12.6489 7.67245 14.7348 9.12395 5.74345 15.3913 7.92718 7.0588 3.65013 numMergedOcc 0
31 mol 278 unq 0 iso 1 dist 9.03362 14.7348 9.12395 12.6489 7.67245 5.74345 15.3913 7.92718 3.65013 7.0588 numMergedOcc 0
