0 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 13.3091 7.34143 9.162 10.6328 7.18176 5.93337 4.5482 9.04053 6.31696 11.6682 6.66056 6.29814 numMergedOcc 0
1 mol 52 unq 0 iso 1 dist 7.68916 13.3091 7.34143 11.9986 9.80098 9.162 10.6328 7.18176 4.5482 5.93337 9.04053 6.31696 6.66056 11.6682 6.29814 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 7.47417 8.90624 9.80098 13.0115 7.34143 9.162 10.4155 7.18176 5.93337 4.5482 11.8458 6.31696 11.6682 6.66056 6.29814 numMergedOcc 0
3 mol 52 unq 1 iso 1 dist 7.47417 13.0115 7.34143 8.90624 9.80098 9.162 10.4155 7.18176 4.5482 5.93337 11.8458 6.31696 6.66056 11.6682 6.29814 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 6.43082 6.83299 5.08001 5.59128 5.02241 6.91765 5.06052 13.9555 7.21717 15.293 13.86 11.0681 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 7.51978 6.43082 6.83299 10.6355 9.5589 5.08001 5.59128 5.02241 5.06052 6.91765 13.9555 7.21717 13.86 15.293 11.0681 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 7.51978 10.6355 9.5589 11.7347 8.10861 16.3192 5.59128 5.02241 6.91765 10.1332 13.9555 7.21717 15.293 5.99981 11.0681 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 7.51978 11.7347 8.10861 10.6355 9.5589 16.3192 5.59128 5.02241 10.1332 6.91765 13.9555 7.21717 5.99981 15.293 11.0681 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 11.7347 8.10861 14.2075 5.59128 5.02241 5.06052 10.1332 13.9555 7.21717 13.86 5.99981 11.0681 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 7.51978 11.7347 8.10861 6.43082 6.83299 14.2075 5.59128 5.02241 10.1332 5.06052 13.9555 7.21717 5.99981 13.86 11.0681 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 9.0406 7.32874 5.47421 12.9126 8.26899 5.98837 4.55117 6.10173 7.21955 7.09066 7.12541 10.8421 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 8.52969 9.0406 7.32874 11.6772 6.81627 5.47421 12.9126 8.26899 4.55117 5.98837 6.10173 7.21955 7.12541 7.09066 10.8421 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 8.52969 11.6772 6.81627 4.98107 9.55426 9.7274 12.9126 8.26899 5.98837 10.3782 6.10173 7.21955 7.09066 5.74871 10.8421 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 8.52969 4.98107 9.55426 11.6772 6.81627 9.7274 12.9126 8.26899 10.3782 5.98837 6.10173 7.21955 5.74871 7.09066 10.8421 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 8.52969 9.0406 7.32874 4.98107 9.55426 5.90225 12.9126 8.26899 4.55117 10.3782 6.10173 7.21955 7.12541 5.74871 10.8421 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 8.52969 4.98107 9.55426 9.0406 7.32874 5.90225 12.9126 8.26899 10.3782 4.55117 6.10173 7.21955 5.74871 7.12541 10.8421 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 12.2879 7.47343 5.33144 10.6273 8.72704 7.2495 10.1589 6.29383 7.38135 7.11701 11.2312 11.0949 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 10.6273 8.72704 10.1589 7.2495 6.29383 7.38135 11.2312 7.11701 11.0949 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 10.2364 8.86688 9.71151 10.6273 8.72704 7.2495 15.9331 6.29383 7.38135 7.11701 7.79768 11.0949 numMergedOcc 0
19 mol 100 unq 1 iso 1 dist 5.09688 10.2364 8.86688 9.65979 6.45675 9.71151 10.6273 8.72704 15.9331 7.2495 6.29383 7.38135 7.79768 7.11701 11.0949 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 10.6273 8.72704 10.1589 15.9331 6.29383 7.38135 11.2312 7.79768 11.0949 numMergedOcc 0
21 mol 100 unq 1 iso 1 dist 5.09688 10.2364 8.86688 12.2879 7.47343 10.1407 10.6273 8.72704 15.9331 10.1589 6.29383 7.38135 7.79768 11.2312 11.0949 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 9.26343 13.666 6.45675 16.4386 7.47343 5.33144 11.6898 8.72704 7.2495 10.1589 10.728 7.38135 7.11701 11.2312 11.0949 numMergedOcc 0
23 mol 100 unq 2 iso 1 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 11.6898 8.72704 10.1589 7.2495 10.728 7.38135 11.2312 7.11701 11.0949 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 9.26343 13.666 6.45675 15.5646 8.86688 9.71151 11.6898 8.72704 7.2495 15.9331 10.728 7.38135 7.11701 7.79768 11.0949 numMergedOcc 0
25 mol 100 unq 3 iso 1 dist 9.26343 15.5646 8.86688 13.666 6.45675 9.71151 11.6898 8.72704 15.9331 7.2495 10.728 7.38135 7.79768 7.11701 11.0949 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 11.6898 8.72704 10.1589 15.9331 10.728 7.38135 11.2312 7.79768 11.0949 numMergedOcc 0
27 mol 100 unq 3 iso 1 dist 9.26343 15.5646 8.86688 16.4386 7.47343 10.1407 11.6898 8.72704 15.9331 10.1589 10.728 7.38135 7.79768 11.2312 11.0949 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 12.6542 6.49416 5.00526 15.1358 8.6355 10.1448 5.41704 10.0674 7.80532 7.41674 9.87376 14.1488 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 6.99089 12.6542 6.49416 10.1742 6.54501 5.00526 15.1358 8.6355 5.41704 10.1448 10.0674 7.80532 9.87376 7.41674 14.1488 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 14.3955 6.94688 6.25083 5.86342 15.4597 8.90963 8.91338 9.81073 4.43678 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 14.3955 6.94688 5.86342 6.25083 15.4597 8.90963 9.81073 8.91338 4.43678 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 15.6271 6.71012 4.77278 9.14057 15.4597 8.90963 8.91338 9.81073 6.03415 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 15.6271 6.71012 9.14057 4.77278 15.4597 8.90963 9.81073 8.91338 6.03415 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 14.3955 6.94688 6.25083 6.80228 15.4597 8.90963 8.91338 9.34211 4.43678 numMergedOcc 0
35 mol 181 unq 2 iso 1 dist 9.25528 11.9545 9.15386 18.2027 9.1374 12.1628 14.3955 6.94688 6.80228 6.25083 15.4597 8.90963 9.34211 8.91338 4.43678 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 15.6271 6.71012 4.77278 11.6919 15.4597 8.90963 8.91338 9.34211 6.03415 numMergedOcc 0
37 mol 181 unq 3 iso 1 dist 9.25528 11.9545 9.15386 18.2027 9.1374 12.1628 15.6271 6.71012 11.6919 4.77278 15.4597 8.90963 9.34211 8.91338 6.03415 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 14.3955 6.94688 5.86342 6.80228 15.4597 8.90963 9.81073 9.34211 4.43678 numMergedOcc 0
39 mol 181 unq 2 iso 1 dist 9.25528 11.9545 9.15386 11.4901 5.98885 5.16002 14.3955 6.94688 6.80228 5.86342 15.4597 8.90963 9.34211 9.81073 4.43678 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 15.6271 6.71012 9.14057 11.6919 15.4597 8.90963 9.81073 9.34211 6.03415 numMergedOcc 0
41 mol 181 unq 3 iso 1 dist 9.25528 11.9545 9.15386 11.4901 5.98885 5.16002 15.6271 6.71012 11.6919 9.14057 15.4597 8.90963 9.34211 9.81073 6.03415 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 7.58285 8.51516 10.8344 13.2566 5.90931 5.09262 12.9483 15.254 9.68728 7.67571 10.8573 11.145 numMergedOcc 0
43 mol 204 unq 0 iso 1 dist 7.92766 7.58285 8.51516 14.0488 7.10633 10.8344 13.2566 5.90931 12.9483 5.09262 15.254 9.68728 10.8573 7.67571 11.145 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 9.43922 7.26832 7.38516 7.13867 9.19704 8.66809 6.23291 10.098 6.03688 8.15057 12.4957 14.6029 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 7.36642 9.43922 7.26832 4.87114 6.03031 7.38516 7.13867 9.19704 6.23291 8.66809 10.098 6.03688 12.4957 8.15057 14.6029 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 7.36642 4.87114 6.03031 6.98312 7.80463 8.18714 7.13867 9.19704 8.66809 13.231 10.098 6.03688 8.15057 6.09749 14.6029 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 7.36642 6.98312 7.80463 4.87114 6.03031 8.18714 7.13867 9.19704 13.231 8.66809 10.098 6.03688 6.09749 8.15057 14.6029 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 6.98312 7.80463 13.8543 7.13867 9.19704 6.23291 13.231 10.098 6.03688 12.4957 6.09749 14.6029 numMergedOcc 0
49 mol 205 unq 1 iso 1 dist 7.36642 6.98312 7.80463 9.43922 7.26832 13.8543 7.13867 9.19704 13.231 6.23291 10.098 6.03688 6.09749 12.4957 14.6029 numMergedOcc 0
50 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 5.41675 6.61986 9.54151 11.3668 8.19953 8.64911 10.7113 9.80934 9.51597 4.98993 12.4692 6.99977 numMergedOcc 0
51 mol 224 unq 0 iso 1 dist 7.69537 5.41675 6.61986 5.92906 9.40098 9.54151 11.3668 8.19953 10.7113 8.64911 9.80934 9.51597 12.4692 4.98993 6.99977 numMergedOcc 0
52 mol 249 unq 0 iso 0 dist 6.42827 8.22485 7.57994 6.77698 6.18582 5.01979 5.63238 8.83735 5.23473 7.38675 5.74889 5.48118 10.7772 7.04666 10.639 numMergedOcc 0
53 mol 249 unq 0 iso 1 dist 6.42827 6.77698 6.18582 8.22485 7.57994 5.01979 5.63238 8.83735 7.38675 5.23473 5.74889 5.48118 7.04666 10.7772 10.639 numMergedOcc 0
