0 mol 27 unq 0 iso 0 dist 8.28463 3.71754 9.77484 6.75307 6.65855 8.71752 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 8.28463 3.71754 9.77484 7.24775 14.3929 7.60283 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.51978 5.59128 5.02241 5.0478 4.29856 6.30987 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 7.67586 10.9894 6.71911 16.2522 9.64444 9.2902 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.97292 9.55542 6.71911 16.5767 9.64444 9.2902 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 7.95122 10.7301 8.33704 14.1845 6.50609 9.48582 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 9.74268 10.7301 7.92394 14.1845 8.34216 9.48582 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.28737 12.2209 8.19682 13.2115 6.45686 7.03226 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 5.09688 10.6273 8.72704 14.2133 10.6245 6.0652 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.91446 7.39527 4.76815 6.6157 7.16919 7.09065 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 9.26343 11.6898 8.72704 15.4003 10.6245 6.0652 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.32004 7.01214 7.44174 10.5844 10.314 7.26955 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.99089 15.1358 8.6355 11.8229 5.71679 8.73604 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 4.93035 6.70767 6.93652 9.14007 7.42649 5.26989 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 4.93035 6.70767 6.93652 13.3765 10.6531 7.76442 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.25528 14.3955 6.94688 14.9122 6.6251 9.06217 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 9.25528 15.6271 6.71012 14.9122 6.6251 7.13252 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 6.18486 5.31715 8.83563 8.85568 6.67321 9.28891 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 5.76077 10.6548 7.19465 7.06589 5.78064 9.58354 numMergedOcc 0
19 mol 253 unq 1 iso 0 dist 7.0247 3.494 7.19465 8.70383 5.78064 9.58354 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 7.90792 6.63358 7.32347 5.94224 6.6348 6.8972 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 7.18433 6.04378 4.86729 10.9476 4.50325 6.61376 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 9.6958 5.66912 7.34205 12.88 10.808 8.87606 numMergedOcc 0
