0 mol 35 unq 0 iso 0 dist 7.42628 6.82998 8.72582 5.13152 5.28675 9.50235 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.60252 6.90344 9.73825 6.44522 8.07498 11.3378 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.60252 6.90344 9.73825 6.44795 7.46419 12.7664 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 7.60252 6.90344 9.73825 10.0334 7.18693 15.2354 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 7.60252 6.45418 4.97477 6.44522 8.07498 9.04731 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 7.60252 6.45418 4.97477 6.44795 7.46419 10.0496 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 7.60252 6.45418 4.97477 10.0334 7.18693 11.3062 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 7.60252 8.02605 6.69925 6.44522 8.07498 12.5652 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 7.60252 8.02605 6.69925 6.44795 7.46419 11.363 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 7.60252 8.02605 6.69925 10.0334 7.18693 12.8512 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 4.76632 6.2216 7.52996 7.09531 7.48556 6.4104 numMergedOcc 0
11 mol 73 unq 10 iso 0 dist 4.76632 6.2216 7.52996 13.0118 9.47045 12.0834 numMergedOcc 0
12 mol 73 unq 11 iso 0 dist 4.76632 6.2216 7.52996 11.6199 8.68218 12.7946 numMergedOcc 0
13 mol 73 unq 12 iso 0 dist 4.46817 6.90344 9.42176 9.22505 7.48556 15.6118 numMergedOcc 0
14 mol 73 unq 13 iso 0 dist 4.46817 6.90344 9.42176 6.44522 9.47045 11.3378 numMergedOcc 0
15 mol 73 unq 14 iso 0 dist 4.46817 6.90344 9.42176 6.44795 8.68218 12.7664 numMergedOcc 0
16 mol 73 unq 15 iso 0 dist 4.46817 6.45418 10.5755 9.22505 7.48556 15.3439 numMergedOcc 0
17 mol 73 unq 16 iso 0 dist 4.46817 6.45418 10.5755 6.44522 9.47045 9.04731 numMergedOcc 0
18 mol 73 unq 17 iso 0 dist 4.46817 6.45418 10.5755 6.44795 8.68218 10.0496 numMergedOcc 0
19 mol 73 unq 18 iso 0 dist 4.46817 8.02605 10.7847 9.22505 7.48556 16.5549 numMergedOcc 0
20 mol 73 unq 19 iso 0 dist 4.46817 8.02605 10.7847 6.44522 9.47045 12.5652 numMergedOcc 0
21 mol 73 unq 20 iso 0 dist 4.46817 8.02605 10.7847 6.44795 8.68218 11.363 numMergedOcc 0
22 mol 73 unq 21 iso 0 dist 9.90493 6.2216 15.6609 14.6054 7.58027 18.9039 numMergedOcc 0
23 mol 73 unq 22 iso 0 dist 9.90493 6.2216 15.6609 13.0783 4.34694 18.2619 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 7.3603 7.11094 12.959 9.72447 6.30896 15.9063 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 7.3603 7.21175 5.82029 9.72447 6.30896 9.4286 numMergedOcc 0
26 mol 105 unq 0 iso 0 dist 6.81208 8.34566 7.49434 5.88758 8.51572 13.0412 numMergedOcc 0
27 mol 117 unq 0 iso 0 dist 8.70414 9.96122 5.25096 5.9972 7.79078 10.9242 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.3536 5.47457 7.11894 11.6787 8.8353 14.5666 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 6.3536 8.79566 5.71198 11.6787 8.8353 13.5802 numMergedOcc 0
30 mol 168 unq 0 iso 0 dist 8.67673 6.46256 9.45588 11.2923 8.72323 15.8783 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 4.27345 9.10311 5.68772 6.72013 7.11741 11.9013 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 4.27345 9.10311 5.68772 6.44379 8.8113 12.1258 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 8.1715 7.144 5.77904 7.98497 8.15119 4.81916 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 9.2745 8.45131 5.10722 9.95788 6.45597 9.32175 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 9.2745 8.45131 5.10722 9.95788 6.45597 9.32175 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 9.2745 8.45131 5.10722 9.95788 6.45597 9.32175 numMergedOcc 0
