0 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 12.8949 6.92781 6.31718 9.78197 5.30082 6.93532 10.4366 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 13.3505 7.67038 4.54938 11.0283 4.64838 6.41575 4.97119 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.41045 13.3276 8.4674 16.7413 10.3915 7.82074 11.0283 4.64838 6.41575 6.01808 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.41045 7.64353 4.51865 13.3505 7.67038 6.864 11.0283 4.64838 6.41423 4.97119 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 15.5112 10.0952 8.86116 13.1713 6.66749 9.41441 14.012 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.64673 16.4832 8.03644 25.1398 16.6055 9.03572 20.6196 11.4333 9.49454 13.3662 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 9.64673 16.4832 8.03644 22.565 13.8105 8.83255 20.6196 11.4333 9.49454 12.0666 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 14.2807 5.33144 6.45675 19.0265 11.2312 7.38135 7.11701 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 15.6365 10.1407 8.86688 19.0265 11.2312 7.38135 7.79768 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 11.3703 9.05135 9.61051 6.52844 4.55551 6.28565 6.30169 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 8.59695 6.13737 5.83384 11.3703 9.05135 9.61051 9.47532 10.5488 7.58957 5.68211 numMergedOcc 0
11 mol 129 unq 2 iso 0 dist 6.42706 5.12351 5.83384 12.0652 9.05135 9.61051 9.51709 4.55551 6.28565 6.30169 numMergedOcc 0
12 mol 129 unq 3 iso 0 dist 6.42706 5.12351 5.83384 12.0652 9.05135 9.61051 11.1555 10.5488 7.58957 5.68211 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 13.8807 5.79898 9.89303 11.6726 5.71679 7.69991 4.60632 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 11.6726 5.71679 6.23142 4.57832 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 11.6726 5.71679 6.23142 5.29786 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 9.16358 10.0911 8.94367 6.48328 5.49782 6.37586 11.0888 4.57832 6.23142 5.29786 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 9.16358 10.0911 8.94367 11.0053 8.80819 6.49416 11.0888 4.57832 6.23142 5.71679 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 9.16358 9.66197 9.86662 6.48328 5.49782 9.71307 11.0888 4.57832 9.94764 5.29786 numMergedOcc 0
19 mol 134 unq 6 iso 0 dist 6.48328 10.0911 6.37586 9.16358 5.49782 8.94367 11.0888 5.29786 6.23142 4.57832 numMergedOcc 0
20 mol 134 unq 7 iso 0 dist 6.48328 10.0911 6.37586 11.0053 5.00817 6.49416 11.0888 5.29786 6.23142 5.71679 numMergedOcc 0
21 mol 134 unq 8 iso 0 dist 6.48328 9.66197 9.71307 9.16358 5.49782 9.86662 11.0888 5.29786 9.94764 4.57832 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 11.1074 8.85576 7.63312 12.2628 7.77758 5.94469 12.5387 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 9.80543 7.38516 6.03031 8.76465 12.4957 6.03688 8.15057 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 7.51951 5.04299 7.26832 12.4766 13.8543 7.80463 8.76465 12.4957 6.03688 6.09749 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 14.9014 6.99063 9.34734 13.8669 6.35849 7.43071 6.00424 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 14.9014 6.99063 9.34734 14.0842 10.9607 5.41321 10.7656 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 13.8669 6.35849 7.43071 10.204 numMergedOcc 0
28 mol 227 unq 3 iso 0 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 14.0842 10.9607 5.41321 9.72615 numMergedOcc 0
29 mol 227 unq 4 iso 0 dist 8.27093 10.9396 7.22101 16.5135 10.8658 7.56888 13.8669 6.35849 7.43071 9.76735 numMergedOcc 0
30 mol 227 unq 5 iso 0 dist 8.27093 10.9396 7.22101 16.5135 10.8658 7.56888 14.0842 10.9607 5.41321 5.10635 numMergedOcc 0
31 mol 227 unq 6 iso 0 dist 8.27093 10.9396 7.22101 18.1901 12.4689 7.55216 13.8669 6.35849 7.43071 9.32448 numMergedOcc 0
32 mol 227 unq 7 iso 0 dist 8.27093 10.9396 7.22101 18.1901 12.4689 7.55216 14.0842 10.9607 5.41321 6.48027 numMergedOcc 0
33 mol 227 unq 8 iso 0 dist 9.02226 10.9396 8.65997 14.9014 7.60506 9.34734 13.8669 10.204 7.43071 6.00424 numMergedOcc 0
34 mol 227 unq 9 iso 0 dist 9.02226 10.9396 8.65997 14.9014 7.60506 9.34734 14.0842 9.72615 5.41321 10.7656 numMergedOcc 0
35 mol 227 unq 10 iso 0 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 13.8669 10.204 7.43071 6.35849 numMergedOcc 0
36 mol 227 unq 11 iso 0 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 14.0842 9.72615 5.41321 10.9607 numMergedOcc 0
37 mol 227 unq 12 iso 0 dist 9.02226 10.9396 8.65997 16.5135 9.70012 7.56888 13.8669 10.204 7.43071 9.76735 numMergedOcc 0
38 mol 227 unq 13 iso 0 dist 9.02226 10.9396 8.65997 16.5135 9.70012 7.56888 14.0842 9.72615 5.41321 5.10635 numMergedOcc 0
39 mol 227 unq 14 iso 0 dist 9.02226 10.9396 8.65997 18.1901 12.9332 7.55216 13.8669 10.204 7.43071 9.32448 numMergedOcc 0
40 mol 227 unq 15 iso 0 dist 9.02226 10.9396 8.65997 18.1901 12.9332 7.55216 14.0842 9.72615 5.41321 6.48027 numMergedOcc 0
41 mol 227 unq 16 iso 0 dist 9.78611 9.775 7.55216 16.5049 9.51866 9.34734 12.4438 9.32448 7.43071 6.00424 numMergedOcc 0
42 mol 227 unq 17 iso 0 dist 9.78611 9.775 7.55216 16.5049 9.51866 9.34734 11.8295 6.48027 5.41321 10.7656 numMergedOcc 0
43 mol 227 unq 18 iso 0 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 12.4438 9.32448 7.43071 6.35849 numMergedOcc 0
44 mol 227 unq 19 iso 0 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 11.8295 6.48027 5.41321 10.9607 numMergedOcc 0
45 mol 227 unq 20 iso 0 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 12.4438 9.32448 7.43071 10.204 numMergedOcc 0
46 mol 227 unq 21 iso 0 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 11.8295 6.48027 5.41321 9.72615 numMergedOcc 0
47 mol 227 unq 22 iso 0 dist 9.78611 9.775 7.55216 13.4874 4.48529 7.56888 12.4438 9.32448 7.43071 9.76735 numMergedOcc 0
48 mol 227 unq 23 iso 0 dist 9.78611 9.775 7.55216 13.4874 4.48529 7.56888 11.8295 6.48027 5.41321 5.10635 numMergedOcc 0
