0 mol 24 unq 0 iso 0 dist 6.44893 5.42968 4.21283 9.67461 4.93188 8.23075 14.0586 9.24958 10.551 12.3067 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.44893 5.42968 4.21283 14.0586 9.24958 10.551 9.67461 4.93188 8.23075 12.3067 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.44893 5.94343 4.97191 9.67461 4.93188 4.7841 14.0586 9.24958 14.1707 12.3067 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.44893 5.94343 4.97191 14.0586 9.24958 14.1707 9.67461 4.93188 4.7841 12.3067 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 6.40398 7.92586 12.0238 10.9094 8.7817 18.7219 11.8694 7.55415 18.8099 5.26258 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 6.40398 7.92586 12.0238 11.8694 7.55415 18.8099 10.9094 8.7817 18.7219 5.26258 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.33262 9.87737 16.6291 9.9009 9.31969 19.6057 9.66495 6.54023 19.1293 5.22626 numMergedOcc 0
7 mol 70 unq 0 iso 1 dist 9.33262 9.87737 16.6291 9.66495 6.54023 19.1293 9.9009 9.31969 19.6057 5.22626 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 9.33262 6.7303 13.2887 9.9009 9.31969 16.1396 9.66495 6.54023 15.8739 5.22626 numMergedOcc 0
9 mol 70 unq 1 iso 1 dist 9.33262 6.7303 13.2887 9.66495 6.54023 15.8739 9.9009 9.31969 16.1396 5.22626 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 5.9819 6.79584 4.25001 4.9102 6.43433 6.87434 6.84034 9.92283 11.5809 5.0812 numMergedOcc 0
11 mol 112 unq 0 iso 1 dist 5.9819 6.79584 4.25001 6.84034 9.92283 11.5809 4.9102 6.43433 6.87434 5.0812 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 5.93793 6.67979 5.46636 8.07661 8.97264 11.4882 8.29712 8.80896 8.57739 5.59807 numMergedOcc 0
13 mol 124 unq 0 iso 1 dist 5.93793 6.67979 5.46636 8.29712 8.80896 8.57739 8.07661 8.97264 11.4882 5.59807 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 8.22643 9.33055 11.5264 4.98231 6.60567 6.59544 13.577 7.62942 16.1245 10.7531 numMergedOcc 0
15 mol 195 unq 0 iso 1 dist 8.22643 9.33055 11.5264 13.577 7.62942 16.1245 4.98231 6.60567 6.59544 10.7531 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 5.33789 5.84588 5.45278 9.81415 9.18635 14.037 5.21925 8.10985 8.08471 11.6493 numMergedOcc 0
17 mol 198 unq 0 iso 1 dist 5.33789 5.84588 5.45278 5.21925 8.10985 8.08471 9.81415 9.18635 14.037 11.6493 numMergedOcc 0
18 mol 198 unq 1 iso 0 dist 5.33789 9.36442 6.59269 9.81415 9.18635 15.5242 5.21925 8.10985 12.1701 11.6493 numMergedOcc 0
19 mol 198 unq 1 iso 1 dist 5.33789 9.36442 6.59269 5.21925 8.10985 12.1701 9.81415 9.18635 15.5242 11.6493 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 5.86317 9.064 5.62485 7.31502 8.32218 13.7929 5.6688 7.96797 9.29009 11.0921 numMergedOcc 0
21 mol 207 unq 0 iso 1 dist 5.86317 9.064 5.62485 5.6688 7.96797 9.29009 7.31502 8.32218 13.7929 11.0921 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 6.47064 8.32382 12.1428 10.7614 9.09271 18.9657 11.777 7.44838 18.9659 5.53477 numMergedOcc 0
23 mol 230 unq 0 iso 1 dist 6.47064 8.32382 12.1428 11.777 7.44838 18.9659 10.7614 9.09271 18.9657 5.53477 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 9.97871 8.28099 4.91893 5.8982 6.17052 7.79063 6.17735 9.77666 9.64778 5.55137 numMergedOcc 0
25 mol 248 unq 0 iso 1 dist 9.97871 8.28099 4.91893 6.17735 9.77666 9.64778 5.8982 6.17052 7.79063 5.55137 numMergedOcc 0
26 mol 248 unq 1 iso 0 dist 9.08064 5.76741 4.91893 7.63032 6.17052 7.79063 6.42334 9.77666 9.64778 5.55137 numMergedOcc 0
27 mol 248 unq 1 iso 1 dist 9.08064 5.76741 4.91893 6.42334 9.77666 9.64778 7.63032 6.17052 7.79063 5.55137 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 5.67349 8.55479 11.1232 4.63237 5.26434 12.3855 6.39263 8.60026 8.24356 7.00201 numMergedOcc 0
29 mol 261 unq 0 iso 1 dist 5.67349 8.55479 11.1232 6.39263 8.60026 8.24356 4.63237 5.26434 12.3855 7.00201 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 9.91954 6.26593 8.89888 15.213 7.52281 14.7806 7.50444 6.42588 10.4401 8.96144 numMergedOcc 0
31 mol 264 unq 0 iso 1 dist 9.91954 6.26593 8.89888 7.50444 6.42588 10.4401 15.213 7.52281 14.7806 8.96144 numMergedOcc 0
