0 mol 12 unq 0 iso 0 dist 6.65398 9.20201 4.98378 5.33905 4.49007 4.76018 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 6.65398 9.20201 4.98378 8.09014 8.59739 7.13046 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 9.25986 8.82649 4.68181 11.5334 7.65758 6.84337 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 8.28673 6.59367 10.9877 12.5752 13.7632 6.73801 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 8.28673 6.59367 10.9877 8.68242 15.2506 6.42834 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 8.84674 9.57238 7.51546 8.76497 11.4808 6.61977 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.04551 8.45484 13.4777 13.7393 19.598 7.281 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 8.36915 8.80334 10.7888 14.2257 17.2031 7.34031 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 6.01454 8.80334 13.7656 14.2257 20.0061 7.34031 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 6.31161 8.45484 6.73491 13.7393 12.7064 7.281 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 7.24183 8.64746 5.78769 7.07433 11.9735 9.32552 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 6.60356 6.0026 8.57632 5.70312 10.3532 6.0652 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 8.80388 9.3724 11.2006 8.65154 14.0385 5.03173 numMergedOcc 0
13 mol 105 unq 1 iso 0 dist 7.28156 9.3724 10.9335 8.65154 13.2285 5.03173 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.64085 8.22353 5.45952 11.6598 11.6873 9.30424 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.82329 9.72291 6.28495 7.33075 9.69399 7.80054 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.6609 7.77669 11.3105 10.3139 12.4201 6.26365 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 8.6609 7.77669 11.3105 7.04147 10.7245 7.04177 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 6.21546 7.77669 5.2437 10.3139 9.27911 6.26365 numMergedOcc 0
19 mol 175 unq 3 iso 0 dist 6.21546 7.77669 5.2437 7.04147 8.57607 7.04177 numMergedOcc 0
20 mol 175 unq 4 iso 0 dist 6.03184 7.77669 7.87691 10.3139 13.2069 6.26365 numMergedOcc 0
21 mol 175 unq 5 iso 0 dist 6.03184 7.77669 7.87691 7.04147 11.4305 7.04177 numMergedOcc 0
22 mol 189 unq 0 iso 0 dist 7.04604 4.96433 5.87044 6.37312 9.71563 6.31466 numMergedOcc 0
23 mol 189 unq 1 iso 0 dist 8.23197 7.65477 7.92946 6.41248 13.7292 9.33695 numMergedOcc 0
24 mol 189 unq 2 iso 0 dist 8.23197 8.2926 11.791 6.41248 13.7292 6.31466 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 5.2851 9.47836 9.95811 10.0092 14.3298 9.52615 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 6.00654 4.57548 5.28695 5.86546 5.4347 7.02079 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 6.00654 4.57548 5.28695 8.35939 11.1516 5.88802 numMergedOcc 0
28 mol 254 unq 0 iso 0 dist 6.76462 9.84153 12.9504 10.7426 10.6914 8.94909 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.04003 9.11967 5.89971 7.04567 8.9316 5.59555 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.04003 9.11967 5.89971 7.04567 8.9316 5.59555 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.04003 9.11967 5.89971 7.04567 8.9316 5.59555 numMergedOcc 0
