0 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 13.3091 7.34143 9.162 9.04053 6.31696 11.6682 6.66056 numMergedOcc 0
1 mol 52 unq 0 iso 1 dist 7.68916 13.3091 7.34143 11.9986 9.80098 9.162 9.04053 6.31696 6.66056 11.6682 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 7.47417 8.90624 9.80098 13.0115 7.34143 9.162 11.8458 6.31696 11.6682 6.66056 numMergedOcc 0
3 mol 52 unq 1 iso 1 dist 7.47417 13.0115 7.34143 8.90624 9.80098 9.162 11.8458 6.31696 6.66056 11.6682 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 6.43082 6.83299 5.08001 13.9555 7.21717 15.293 13.86 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 7.51978 6.43082 6.83299 10.6355 9.5589 5.08001 13.9555 7.21717 13.86 15.293 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 7.51978 10.6355 9.5589 11.7347 8.10861 16.3192 13.9555 7.21717 15.293 5.99981 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 7.51978 11.7347 8.10861 10.6355 9.5589 16.3192 13.9555 7.21717 5.99981 15.293 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 11.7347 8.10861 14.2075 13.9555 7.21717 13.86 5.99981 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 7.51978 11.7347 8.10861 6.43082 6.83299 14.2075 13.9555 7.21717 5.99981 13.86 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 9.0406 7.32874 5.47421 6.10173 7.21955 7.09066 7.12541 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 8.52969 9.0406 7.32874 11.6772 6.81627 5.47421 6.10173 7.21955 7.12541 7.09066 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 8.52969 11.6772 6.81627 4.98107 9.55426 9.7274 6.10173 7.21955 7.09066 5.74871 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 8.52969 4.98107 9.55426 11.6772 6.81627 9.7274 6.10173 7.21955 5.74871 7.09066 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 8.52969 9.0406 7.32874 4.98107 9.55426 5.90225 6.10173 7.21955 7.12541 5.74871 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 8.52969 4.98107 9.55426 9.0406 7.32874 5.90225 6.10173 7.21955 5.74871 7.12541 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 6.20561 6.82344 8.95922 10.9738 6.95572 9.50382 7.56363 numMergedOcc 0
17 mol 92 unq 0 iso 1 dist 5.89394 6.20561 6.82344 6.80709 7.4729 8.95922 10.9738 6.95572 7.56363 9.50382 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 5.89394 6.80709 7.4729 6.20561 6.82344 8.95922 10.3703 7.38677 12.7565 5.91004 numMergedOcc 0
19 mol 92 unq 1 iso 1 dist 5.89394 6.20561 6.82344 6.80709 7.4729 8.95922 10.3703 7.38677 5.91004 12.7565 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 12.2879 7.47343 5.33144 6.29383 7.38135 7.11701 11.2312 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 6.29383 7.38135 11.2312 7.11701 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 10.2364 8.86688 9.71151 6.29383 7.38135 7.11701 7.79768 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 5.09688 10.2364 8.86688 9.65979 6.45675 9.71151 6.29383 7.38135 7.79768 7.11701 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 6.29383 7.38135 11.2312 7.79768 numMergedOcc 0
25 mol 100 unq 1 iso 1 dist 5.09688 10.2364 8.86688 12.2879 7.47343 10.1407 6.29383 7.38135 7.79768 11.2312 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 9.26343 13.666 6.45675 16.4386 7.47343 5.33144 10.728 7.38135 7.11701 11.2312 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 10.728 7.38135 11.2312 7.11701 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 9.26343 13.666 6.45675 15.5646 8.86688 9.71151 10.728 7.38135 7.11701 7.79768 numMergedOcc 0
29 mol 100 unq 3 iso 1 dist 9.26343 15.5646 8.86688 13.666 6.45675 9.71151 10.728 7.38135 7.79768 7.11701 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 10.728 7.38135 11.2312 7.79768 numMergedOcc 0
31 mol 100 unq 3 iso 1 dist 9.26343 15.5646 8.86688 16.4386 7.47343 10.1407 10.728 7.38135 7.79768 11.2312 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 12.6542 6.49416 5.00526 10.0674 7.80532 7.41674 9.87376 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 6.99089 12.6542 6.49416 10.1742 6.54501 5.00526 10.0674 7.80532 9.87376 7.41674 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 15.4597 8.90963 8.91338 9.81073 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 15.4597 8.90963 9.81073 8.91338 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 15.4597 8.90963 8.91338 9.34211 numMergedOcc 0
37 mol 181 unq 1 iso 1 dist 9.25528 11.9545 9.15386 18.2027 9.1374 12.1628 15.4597 8.90963 9.34211 8.91338 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 15.4597 8.90963 9.81073 9.34211 numMergedOcc 0
39 mol 181 unq 1 iso 1 dist 9.25528 11.9545 9.15386 11.4901 5.98885 5.16002 15.4597 8.90963 9.34211 9.81073 numMergedOcc 0
40 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 10.8223 7.00794 5.76246 5.76622 8.77999 8.49529 11.7523 numMergedOcc 0
41 mol 192 unq 0 iso 1 dist 9.05666 10.8223 7.00794 5.64431 5.59424 5.76246 5.76622 8.77999 11.7523 8.49529 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 7.58285 8.51516 10.8344 15.254 9.68728 7.67571 10.8573 numMergedOcc 0
43 mol 204 unq 0 iso 1 dist 7.92766 7.58285 8.51516 14.0488 7.10633 10.8344 15.254 9.68728 10.8573 7.67571 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 9.43922 7.26832 7.38516 10.098 6.03688 8.15057 12.4957 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 7.36642 9.43922 7.26832 4.87114 6.03031 7.38516 10.098 6.03688 12.4957 8.15057 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 7.36642 4.87114 6.03031 6.98312 7.80463 8.18714 10.098 6.03688 8.15057 6.09749 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 7.36642 6.98312 7.80463 4.87114 6.03031 8.18714 10.098 6.03688 6.09749 8.15057 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 6.98312 7.80463 13.8543 10.098 6.03688 12.4957 6.09749 numMergedOcc 0
49 mol 205 unq 1 iso 1 dist 7.36642 6.98312 7.80463 9.43922 7.26832 13.8543 10.098 6.03688 6.09749 12.4957 numMergedOcc 0
50 mol 206 unq 0 iso 0 dist 8.59262 4.38308 8.02137 13.472 9.774 10.4 14.201 7.75885 12.7604 6.45859 numMergedOcc 0
51 mol 206 unq 0 iso 1 dist 8.59262 13.472 9.774 4.38308 8.02137 10.4 14.201 7.75885 6.45859 12.7604 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 5.41675 6.61986 9.54151 9.80934 9.51597 4.98993 12.4692 numMergedOcc 0
53 mol 224 unq 0 iso 1 dist 7.69537 5.41675 6.61986 5.92906 9.40098 9.54151 9.80934 9.51597 12.4692 4.98993 numMergedOcc 0
54 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 12.5238 8.40182 4.06055 6.62976 7.79066 9.0443 12.1512 numMergedOcc 0
55 mol 231 unq 0 iso 1 dist 8.17766 12.5238 8.40182 11.3675 7.37839 4.06055 6.62976 7.79066 12.1512 9.0443 numMergedOcc 0
56 mol 231 unq 1 iso 0 dist 9.84965 14.0116 7.37839 16.7305 8.40182 4.06055 5.74327 7.79066 9.0443 12.1512 numMergedOcc 0
57 mol 231 unq 1 iso 1 dist 9.84965 16.7305 8.40182 14.0116 7.37839 4.06055 5.74327 7.79066 12.1512 9.0443 numMergedOcc 0
58 mol 249 unq 0 iso 0 dist 6.42827 8.22485 7.57994 6.77698 6.18582 5.01979 5.74889 5.48118 10.7772 7.04666 numMergedOcc 0
59 mol 249 unq 0 iso 1 dist 6.42827 6.77698 6.18582 8.22485 7.57994 5.01979 5.74889 5.48118 7.04666 10.7772 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 13.8605 7.88519 4.69778 10.451 7.98231 8.41846 8.81835 numMergedOcc 0
61 mol 259 unq 0 iso 1 dist 6.49599 13.8605 7.88519 14.1932 8.13497 4.69778 10.451 7.98231 8.81835 8.41846 numMergedOcc 0
