0 mol 4 unq 0 iso 0 dist 6.10734 12.7044 8.24634 10.8791 7.35416 6.29581 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 6.19304 11.7888 7.99969 6.44044 8.5315 10.8897 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.20373 15.0205 6.14538 17.3249 9.17082 4.24786 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.48163 11.5195 5.9465 5.60494 6.77241 8.70803 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.48163 11.5195 5.9465 4.76916 5.50508 9.52327 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.48163 11.5567 6.97962 5.60494 6.77241 8.87994 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 6.48163 11.5567 6.97962 4.76916 5.50508 11.641 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 6.48163 10.743 9.95342 5.60494 6.77241 7.52639 numMergedOcc 0
8 mol 92 unq 5 iso 0 dist 6.48163 10.743 9.95342 4.76916 5.50508 7.34683 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.48678 13.9683 6.7117 8.83348 7.36769 7.94178 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.48678 13.9683 6.7117 14.016 6.88901 4.4057 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 8.48678 11.0642 4.47349 8.83348 7.36769 9.85543 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 8.48678 11.0642 4.47349 14.016 6.88901 9.67482 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 8.48678 7.71768 5.65185 8.83348 7.36769 7.28361 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 8.48678 7.71768 5.65185 14.016 6.88901 12.0974 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 7.1754 7.77542 7.80975 9.82137 9.5057 5.42531 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 7.1754 7.77542 7.80975 4.42919 5.75014 4.86592 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 7.1754 11.0907 7.10378 9.82137 9.5057 8.4128 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 7.1754 11.0907 7.10378 4.42919 5.75014 7.96533 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 8.32841 10.9993 9.00416 5.309 8.21184 10.8404 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.32841 10.9993 9.00416 6.07262 5.9976 5.18356 numMergedOcc 0
21 mol 156 unq 2 iso 0 dist 6.00295 9.26251 8.73722 5.309 5.41575 6.14767 numMergedOcc 0
22 mol 156 unq 3 iso 0 dist 6.00295 9.26251 8.73722 6.07262 6.86566 12.212 numMergedOcc 0
23 mol 156 unq 4 iso 0 dist 6.56065 4.75264 9.00416 11.9245 8.21184 10.8404 numMergedOcc 0
24 mol 156 unq 5 iso 0 dist 6.56065 4.75264 9.00416 6.25291 5.9976 5.18356 numMergedOcc 0
25 mol 156 unq 6 iso 0 dist 6.40435 11.0374 9.44367 6.47073 8.37434 5.71511 numMergedOcc 0
26 mol 156 unq 7 iso 0 dist 6.40435 9.75709 7.90267 6.47073 8.37434 6.13574 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 8.50938 5.32859 6.46704 12.7855 7.32087 7.81713 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 5.25309 7.07865 5.94469 5.1007 9.92471 9.69409 numMergedOcc 0
29 mol 184 unq 0 iso 0 dist 6.65725 7.25468 6.42735 4.84884 7.54099 8.08596 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 9.819 15.6354 8.65535 14.3175 6.1886 11.6598 numMergedOcc 0
31 mol 226 unq 0 iso 0 dist 6.82883 12.6212 8.80683 4.97624 5.70795 7.92585 numMergedOcc 0
32 mol 226 unq 1 iso 0 dist 6.82883 10.78 6.11704 4.97624 5.70795 7.554 numMergedOcc 0
33 mol 226 unq 2 iso 0 dist 8.22518 9.83787 8.80683 5.55393 5.70795 7.92585 numMergedOcc 0
34 mol 226 unq 3 iso 0 dist 8.22518 11.3247 6.11704 5.55393 5.70795 7.554 numMergedOcc 0
35 mol 226 unq 4 iso 0 dist 6.02803 6.6871 8.80683 9.35407 5.70795 7.92585 numMergedOcc 0
36 mol 226 unq 5 iso 0 dist 6.02803 6.19485 6.11704 9.35407 5.70795 7.554 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 8.52162 11.6549 8.94014 6.32646 5.92374 5.50308 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 8.52162 12.9109 7.02333 6.32646 5.92374 7.11984 numMergedOcc 0
39 mol 238 unq 2 iso 0 dist 8.52162 12.3128 8.67864 6.32646 5.92374 7.95232 numMergedOcc 0
40 mol 244 unq 0 iso 0 dist 5.60146 8.82711 5.50492 6.44798 7.95359 7.6169 numMergedOcc 0
41 mol 244 unq 1 iso 0 dist 5.60146 8.82711 5.50492 11.4169 6.22122 5.17744 numMergedOcc 0
42 mol 244 unq 2 iso 0 dist 9.80249 14.6599 5.50492 13.543 7.95359 7.6169 numMergedOcc 0
43 mol 244 unq 3 iso 0 dist 9.80249 14.6599 5.50492 12.7037 6.22122 5.17744 numMergedOcc 0
44 mol 271 unq 0 iso 0 dist 8.7861 13.7565 8.98576 13.4659 5.92274 5.53238 numMergedOcc 0
45 mol 271 unq 1 iso 0 dist 8.7861 8.68222 8.92636 13.4659 5.92274 9.1619 numMergedOcc 0
46 mol 273 unq 0 iso 0 dist 8.16005 6.69098 8.49177 5.63899 7.16346 4.60101 numMergedOcc 0
47 mol 284 unq 0 iso 0 dist 5.24993 5.87119 6.78191 4.47263 7.34931 4.50325 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 8.53802 14.2602 6.89451 9.52438 6.95912 7.83813 numMergedOcc 0
49 mol 288 unq 0 iso 0 dist 8.53802 14.2602 6.89451 9.52438 6.95912 7.83813 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 8.53802 14.2602 6.89451 9.52438 6.95912 7.83813 numMergedOcc 0
