0 mol 1 unq 0 iso 0 dist 8.99695 6.55429 8.88287 10.242 9.12196 14.7518 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.44893 5.42968 4.21283 9.67461 4.93188 8.23075 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.44893 5.42968 4.21283 14.0586 9.24958 10.551 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.44893 5.94343 4.97191 9.67461 4.93188 4.7841 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.44893 5.94343 4.97191 14.0586 9.24958 14.1707 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.2612 8.27488 14.8703 5.2549 8.44506 12.0119 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 6.40398 7.92586 12.0238 10.9094 8.7817 18.7219 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 6.40398 7.92586 12.0238 11.8694 7.55415 18.8099 numMergedOcc 0
8 mol 51 unq 0 iso 0 dist 8.75256 9.88093 6.84697 5.24913 7.76282 11.7 numMergedOcc 0
9 mol 70 unq 0 iso 0 dist 9.33262 9.87737 16.6291 9.9009 9.31969 19.6057 numMergedOcc 0
10 mol 70 unq 1 iso 0 dist 9.33262 9.87737 16.6291 9.66495 6.54023 19.1293 numMergedOcc 0
11 mol 70 unq 2 iso 0 dist 9.33262 6.7303 13.2887 9.9009 9.31969 16.1396 numMergedOcc 0
12 mol 70 unq 3 iso 0 dist 9.33262 6.7303 13.2887 9.66495 6.54023 15.8739 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 5.9819 6.79584 4.25001 4.9102 6.43433 6.87434 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 5.9819 6.79584 4.25001 6.84034 9.92283 11.5809 numMergedOcc 0
15 mol 124 unq 0 iso 0 dist 5.93793 6.67979 5.46636 8.07661 8.97264 11.4882 numMergedOcc 0
16 mol 124 unq 1 iso 0 dist 5.93793 6.67979 5.46636 8.29712 8.80896 8.57739 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.59729 8.86574 9.42515 10.2733 6.72641 14.6993 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 8.14959 9.81333 11.578 11.4039 8.47347 15.4278 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 9.5853 8.49359 8.73039 5.56399 8.56355 12.2245 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.22643 9.33055 11.5264 4.98231 6.60567 6.59544 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 8.22643 9.33055 11.5264 13.577 7.62942 16.1245 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 5.33789 5.84588 5.45278 9.81415 9.18635 14.037 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 5.33789 5.84588 5.45278 5.21925 8.10985 8.08471 numMergedOcc 0
24 mol 198 unq 2 iso 0 dist 5.33789 9.36442 6.59269 9.81415 9.18635 15.5242 numMergedOcc 0
25 mol 198 unq 3 iso 0 dist 5.33789 9.36442 6.59269 5.21925 8.10985 12.1701 numMergedOcc 0
26 mol 207 unq 0 iso 0 dist 9.72041 9.064 6.73773 5.6688 8.85547 9.29009 numMergedOcc 0
27 mol 207 unq 1 iso 0 dist 5.86317 9.064 5.62485 7.31502 8.32218 13.7929 numMergedOcc 0
28 mol 207 unq 2 iso 0 dist 5.86317 9.064 5.62485 5.6688 7.96797 9.29009 numMergedOcc 0
29 mol 230 unq 0 iso 0 dist 6.47064 8.32382 12.1428 10.7614 9.09271 18.9657 numMergedOcc 0
30 mol 230 unq 1 iso 0 dist 6.47064 8.32382 12.1428 11.777 7.44838 18.9659 numMergedOcc 0
31 mol 248 unq 0 iso 0 dist 9.97871 8.28099 4.91893 5.8982 6.17052 7.79063 numMergedOcc 0
32 mol 248 unq 1 iso 0 dist 9.97871 8.28099 4.91893 6.17735 9.77666 9.64778 numMergedOcc 0
33 mol 248 unq 2 iso 0 dist 9.08064 5.76741 4.91893 7.63032 6.17052 7.79063 numMergedOcc 0
34 mol 248 unq 3 iso 0 dist 9.08064 5.76741 4.91893 6.42334 9.77666 9.64778 numMergedOcc 0
35 mol 261 unq 0 iso 0 dist 5.67349 8.55479 11.1232 4.63237 5.26434 12.3855 numMergedOcc 0
36 mol 261 unq 1 iso 0 dist 5.67349 8.55479 11.1232 6.39263 8.60026 8.24356 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 9.91954 6.26593 8.89888 15.213 7.52281 14.7806 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 9.91954 6.26593 8.89888 7.50444 6.42588 10.4401 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 5.78275 7.0445 4.65086 9.13951 7.91611 8.88595 numMergedOcc 0
