0 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 5.97304 6.60423 9.0934 9.38831 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 6.58998 6.72502 10.7114 9.38831 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.60739 5.64171 9.06158 5.48048 8.44903 10.0649 7.31982 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 8.60739 5.64171 11.3891 5.48048 8.44903 13.5072 7.31982 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 7.34143 9.80098 9.162 9.66501 12.277 4.88603 8.9759 9.9052 16.7829 17.9823 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.33422 6.82174 7.91778 5.08358 8.00777 7.1589 10.6458 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 7.33422 6.82174 10.121 5.08358 8.00777 11.2808 10.6458 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 6.19965 7.97049 5.42586 7.1589 5.08358 6.37974 7.91778 7.33422 12.3486 10.6458 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 6.19965 7.95579 4.26409 7.33422 7.91778 6.82174 5.08358 7.1589 8.00777 10.6458 numMergedOcc 0
9 mol 85 unq 4 iso 0 dist 6.19965 7.66905 6.9948 7.33422 7.91778 10.121 5.08358 7.1589 11.2808 10.6458 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 9.60462 7.45389 7.05226 8.729 11.0629 5.48848 17.3924 9.92283 14.242 15.3575 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 9.60462 7.45389 7.05226 8.729 11.0629 5.48848 3.98564 7.23962 7.30204 10.7583 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 7.45389 9.60462 7.05226 8.729 5.48848 11.0629 3.98564 7.30204 7.23962 10.7583 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 7.88312 7.30858 11.5723 5.72642 7.3094 5.61704 7.21418 5.74857 10.0289 8.71286 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 7.88312 5.83991 8.02349 5.72642 7.3094 6.4497 7.21418 5.74857 10.9766 8.71286 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 7.88312 6.11741 7.69052 5.74857 7.21418 6.08806 7.3094 5.72642 10.9734 8.71286 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.28642 5.70788 9.35627 5.59336 8.35555 10.4911 6.39031 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 8.28642 5.70788 11.2078 5.59336 8.35555 13.0858 6.39031 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 5.87555 8.87437 5.49936 8.35555 5.59336 10.9728 5.70788 8.28642 13.1536 6.39031 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.73169 5.71107 11.2067 6.44255 9.43259 11.1392 9.01812 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 7.73169 5.71107 11.2067 5.82636 6.2319 9.97732 4.9941 numMergedOcc 0
21 mol 156 unq 2 iso 0 dist 8.34702 9.06726 6.31306 5.38091 10.7023 9.00862 6.44255 9.43259 11.1392 5.90883 numMergedOcc 0
22 mol 156 unq 3 iso 0 dist 8.34702 9.06726 6.31306 5.38091 10.7023 9.00862 5.82636 6.2319 9.97732 8.06913 numMergedOcc 0
23 mol 156 unq 4 iso 0 dist 8.34702 8.33171 6.56229 7.73169 5.71107 9.44399 6.44255 9.43259 12.8935 9.01812 numMergedOcc 0
24 mol 156 unq 5 iso 0 dist 8.34702 8.33171 6.56229 7.73169 5.71107 9.44399 5.82636 6.2319 10.5243 4.9941 numMergedOcc 0
25 mol 156 unq 6 iso 0 dist 8.34702 8.33171 6.56229 5.38091 10.7023 11.1271 6.44255 9.43259 12.8935 5.90883 numMergedOcc 0
26 mol 156 unq 7 iso 0 dist 8.34702 8.33171 6.56229 5.38091 10.7023 11.1271 5.82636 6.2319 10.5243 8.06913 numMergedOcc 0
27 mol 156 unq 8 iso 0 dist 9.06726 8.34702 6.31306 7.73169 11.2067 5.71107 5.82636 9.97732 6.2319 4.9941 numMergedOcc 0
28 mol 156 unq 9 iso 0 dist 9.06726 8.34702 6.31306 5.38091 9.00862 10.7023 5.82636 9.97732 6.2319 8.06913 numMergedOcc 0
29 mol 156 unq 10 iso 0 dist 9.06726 8.33171 5.64555 7.73169 11.2067 9.44399 5.82636 9.97732 10.5243 4.9941 numMergedOcc 0
30 mol 156 unq 11 iso 0 dist 9.06726 8.33171 5.64555 5.38091 9.00862 11.1271 5.82636 9.97732 10.5243 8.06913 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 9.09754 8.87694 9.50685 6.85302 4.37002 8.90184 9.97575 8.64409 15.9107 7.55358 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 9.09754 8.87694 9.50685 9.98215 4.64235 12.8303 9.97575 8.64409 15.9107 7.60991 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 8.48341 6.03524 7.60395 6.42798 7.862 12.5287 12.5422 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 10.5813 8.03442 12.2278 9.56257 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 8.03442 10.5813 10.2525 11.0628 8.38865 12.9778 9.56257 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 8.03442 10.5813 7.22396 11.0628 8.38865 5.4694 9.56257 numMergedOcc 0
37 mol 227 unq 3 iso 0 dist 7.22101 7.56888 10.8658 8.03442 10.5813 6.10296 11.0628 8.38865 13.9676 9.56257 numMergedOcc 0
38 mol 227 unq 4 iso 0 dist 7.22101 7.55216 12.4689 8.03442 10.5813 9.69537 11.0628 8.38865 16.9219 9.56257 numMergedOcc 0
39 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 8.03442 7.22396 10.2525 11.0628 5.4694 12.9778 9.56257 numMergedOcc 0
40 mol 227 unq 6 iso 0 dist 8.65997 7.22101 5.22356 8.03442 7.22396 10.5813 11.0628 5.4694 8.38865 9.56257 numMergedOcc 0
41 mol 227 unq 7 iso 0 dist 8.65997 7.56888 9.70012 8.03442 7.22396 6.10296 11.0628 5.4694 13.9676 9.56257 numMergedOcc 0
42 mol 227 unq 8 iso 0 dist 8.65997 7.55216 12.9332 8.03442 7.22396 9.69537 11.0628 5.4694 16.9219 9.56257 numMergedOcc 0
43 mol 227 unq 9 iso 0 dist 7.55216 9.34734 9.51866 8.03442 9.69537 10.2525 10.6244 5.87815 13.9889 15.0736 numMergedOcc 0
44 mol 227 unq 10 iso 0 dist 7.55216 7.22101 12.4689 8.03442 9.69537 10.5813 10.6244 5.87815 16.0894 15.0736 numMergedOcc 0
45 mol 227 unq 11 iso 0 dist 7.55216 8.65997 12.9332 8.03442 9.69537 7.22396 10.6244 5.87815 17.8603 15.0736 numMergedOcc 0
46 mol 227 unq 12 iso 0 dist 7.55216 7.56888 4.48529 8.03442 9.69537 6.10296 10.6244 5.87815 10.3595 15.0736 numMergedOcc 0
47 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 7.50201 7.63376 11.056 5.25252 6.86945 12.322 8.55481 numMergedOcc 0
48 mol 252 unq 1 iso 0 dist 7.19638 9.2288 11.7918 7.50201 7.63376 5.23748 5.25252 6.86945 12.2615 8.55481 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 6.60405 6.42289 7.26417 9.53063 6.6525 5.27959 7.42673 6.70815 7.99477 6.47194 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 6.42289 6.60405 7.26417 9.53063 5.27959 6.6525 7.42673 7.99477 6.70815 6.47194 numMergedOcc 0
51 mol 258 unq 2 iso 0 dist 6.42289 6.60405 7.26417 9.53063 5.27959 6.6525 6.44209 7.86627 11.184 10.472 numMergedOcc 0
52 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 9.19033 10.26 13.5034 4.86504 9.64269 8.46061 12.7305 numMergedOcc 0
53 mol 272 unq 1 iso 0 dist 8.46116 9.97651 8.12676 9.19033 13.5034 10.26 4.86504 8.46061 9.64269 12.7305 numMergedOcc 0
54 mol 272 unq 2 iso 0 dist 8.46116 8.33638 5.40809 8.46061 4.86504 8.7909 13.5034 9.19033 11.9971 12.7305 numMergedOcc 0
