0 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 5.59128 5.02241 6.91765 5.0478 4.29856 10.6808 6.30987 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 5.59128 5.02241 5.06052 5.0478 4.29856 6.14538 6.30987 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 7.51978 11.7347 8.10861 5.59128 5.02241 10.1332 5.0478 4.29856 10.4158 6.30987 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 10.9894 6.71911 7.29033 16.2522 9.64444 14.8852 9.2902 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 7.67586 11.7065 7.71095 10.9894 6.71911 5.33688 16.2522 9.64444 6.73347 9.2902 numMergedOcc 0
5 mol 59 unq 2 iso 0 dist 8.97292 7.2878 6.85766 9.55542 6.71911 7.29033 16.5767 9.64444 14.8852 9.2902 numMergedOcc 0
6 mol 59 unq 3 iso 0 dist 8.97292 14.1347 7.71095 9.55542 6.71911 5.33688 16.5767 9.64444 6.73347 9.2902 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 9.74268 6.95018 9.65964 10.7301 7.92394 6.65811 14.1845 8.34216 14.4968 9.48582 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 10.6273 8.72704 7.2495 14.2133 10.6245 9.91958 6.0652 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 14.2133 10.6245 9.5074 6.0652 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 5.09688 10.2364 8.86688 10.6273 8.72704 15.9331 14.2133 10.6245 18.0561 6.0652 numMergedOcc 0
11 mol 100 unq 3 iso 0 dist 9.26343 13.666 6.45675 11.6898 8.72704 7.2495 15.4003 10.6245 9.91958 6.0652 numMergedOcc 0
12 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 15.4003 10.6245 9.5074 6.0652 numMergedOcc 0
13 mol 100 unq 5 iso 0 dist 9.26343 15.5646 8.86688 11.6898 8.72704 15.9331 15.4003 10.6245 18.0561 6.0652 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 7.01214 7.44174 7.36192 10.5844 10.314 14.2293 7.26955 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 15.1358 8.6355 10.1448 11.8229 5.71679 7.69991 8.73604 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 15.1358 8.6355 5.41704 11.8229 5.71679 6.23142 8.73604 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 14.3955 6.94688 6.25083 14.9122 6.6251 6.2479 9.06217 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 15.6271 6.71012 4.77278 14.9122 6.6251 6.2479 7.13252 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 14.9122 6.6251 7.99195 9.06217 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 14.9122 6.6251 7.99195 7.13252 numMergedOcc 0
21 mol 181 unq 4 iso 0 dist 9.25528 11.9545 9.15386 14.3955 6.94688 6.80228 14.9122 6.6251 12.8533 9.06217 numMergedOcc 0
22 mol 181 unq 5 iso 0 dist 9.25528 11.9545 9.15386 15.6271 6.71012 11.6919 14.9122 6.6251 12.8533 7.13252 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 6.18486 6.78651 7.55216 5.31715 8.83563 11.662 8.85568 6.67321 13.0798 9.28891 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 5.76077 9.0081 9.02271 10.6548 7.19465 7.92528 7.06589 5.78064 13.07 9.58354 numMergedOcc 0
25 mol 253 unq 1 iso 0 dist 7.0247 10.9027 9.02271 3.494 7.19465 7.92528 8.70383 5.78064 13.07 9.58354 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 7.90792 8.93697 6.33524 6.63358 7.32347 6.3384 5.94224 6.6348 10.6906 6.8972 numMergedOcc 0
