0 mol 48 unq 0 iso 0 dist 5.7836 6.17529 5.54472 8.29857 3.50984 6.28603 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 6.28603 3.50984 5.54472 8.29857 6.17529 5.7836 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 5.7836 9.78584 8.62369 8.29857 3.50984 8.80303 numMergedOcc 0
3 mol 48 unq 1 iso 1 dist 8.80303 3.50984 8.62369 8.29857 9.78584 5.7836 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 5.7836 11.505 6.5241 8.29857 3.50984 7.11491 numMergedOcc 0
5 mol 48 unq 2 iso 1 dist 7.11491 3.50984 6.5241 8.29857 11.505 5.7836 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.32996 13.357 8.0812 18.0801 11.611 7.1829 numMergedOcc 0
7 mol 48 unq 3 iso 1 dist 7.1829 11.611 8.0812 18.0801 13.357 7.32996 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 7.11491 11.6319 8.22812 18.0984 13.697 7.20729 numMergedOcc 0
9 mol 48 unq 2 iso 1 dist 7.20729 13.697 8.22812 18.0984 11.6319 7.11491 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 8.40186 7.06935 9.05737 11.114 3.85506 9.42099 numMergedOcc 0
11 mol 48 unq 3 iso 1 dist 9.42099 3.85506 9.05737 11.114 7.06935 8.40186 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 5.82264 6.30002 5.37439 8.19993 3.65036 5.73454 numMergedOcc 0
13 mol 48 unq 4 iso 1 dist 5.73454 3.65036 5.37439 8.19993 6.30002 5.82264 numMergedOcc 0
14 mol 48 unq 5 iso 0 dist 5.82264 9.72383 8.3714 8.19993 3.65036 8.2012 numMergedOcc 0
15 mol 48 unq 5 iso 1 dist 8.2012 3.65036 8.3714 8.19993 9.72383 5.82264 numMergedOcc 0
16 mol 48 unq 6 iso 0 dist 5.82264 11.5388 6.36817 8.19993 3.65036 7.1829 numMergedOcc 0
17 mol 48 unq 6 iso 1 dist 7.1829 3.65036 6.36817 8.19993 11.5388 5.82264 numMergedOcc 0
18 mol 48 unq 5 iso 0 dist 5.73454 3.65036 5.37439 11.427 11.2833 8.56365 numMergedOcc 0
19 mol 48 unq 5 iso 1 dist 8.56365 11.2833 5.37439 11.427 3.65036 5.73454 numMergedOcc 0
20 mol 48 unq 6 iso 0 dist 8.2012 3.65036 8.3714 11.427 12.3471 8.56365 numMergedOcc 0
21 mol 48 unq 6 iso 1 dist 8.56365 12.3471 8.3714 11.427 3.65036 8.2012 numMergedOcc 0
22 mol 48 unq 7 iso 0 dist 8.56365 6.34854 6.36817 11.427 3.65036 7.1829 numMergedOcc 0
23 mol 48 unq 7 iso 1 dist 7.1829 3.65036 6.36817 11.427 6.34854 8.56365 numMergedOcc 0
24 mol 48 unq 8 iso 0 dist 7.47783 6.34854 8.0812 11.427 11.611 7.1829 numMergedOcc 0
25 mol 48 unq 8 iso 1 dist 7.1829 11.611 8.0812 11.427 6.34854 7.47783 numMergedOcc 0
26 mol 48 unq 9 iso 0 dist 8.74151 6.34854 4.17933 11.427 5.37655 7.1829 numMergedOcc 0
27 mol 48 unq 9 iso 1 dist 7.1829 5.37655 4.17933 11.427 6.34854 8.74151 numMergedOcc 0
28 mol 48 unq 10 iso 0 dist 8.69662 6.34854 5.54893 11.427 8.48119 7.1829 numMergedOcc 0
29 mol 48 unq 10 iso 1 dist 7.1829 8.48119 5.54893 11.427 6.34854 8.69662 numMergedOcc 0
30 mol 79 unq 0 iso 0 dist 6.2576 4.37918 4.15789 8.03296 6.07693 8.84225 numMergedOcc 0
31 mol 79 unq 0 iso 1 dist 8.84225 6.07693 4.15789 8.03296 4.37918 6.2576 numMergedOcc 0
32 mol 79 unq 1 iso 0 dist 6.2576 4.37918 4.15789 9.26979 5.25584 6.72546 numMergedOcc 0
33 mol 79 unq 1 iso 1 dist 6.72546 5.25584 4.15789 9.26979 4.37918 6.2576 numMergedOcc 0
34 mol 79 unq 2 iso 0 dist 8.96069 9.08423 4.15789 5.82754 6.07693 8.84225 numMergedOcc 0
35 mol 79 unq 2 iso 1 dist 8.84225 6.07693 4.15789 5.82754 9.08423 8.96069 numMergedOcc 0
36 mol 79 unq 3 iso 0 dist 8.96069 9.08423 4.15789 9.05679 5.25584 6.72546 numMergedOcc 0
37 mol 79 unq 3 iso 1 dist 6.72546 5.25584 4.15789 9.05679 9.08423 8.96069 numMergedOcc 0
38 mol 79 unq 4 iso 0 dist 7.56495 6.29733 4.15789 8.87742 6.07693 8.84225 numMergedOcc 0
39 mol 79 unq 4 iso 1 dist 8.84225 6.07693 4.15789 8.87742 6.29733 7.56495 numMergedOcc 0
40 mol 79 unq 5 iso 0 dist 7.56495 6.29733 4.15789 4.93468 5.25584 6.72546 numMergedOcc 0
41 mol 79 unq 5 iso 1 dist 6.72546 5.25584 4.15789 4.93468 6.29733 7.56495 numMergedOcc 0
42 mol 79 unq 5 iso 0 dist 8.84225 10.8556 4.808 14.3527 6.0298 5.79139 numMergedOcc 0
43 mol 79 unq 5 iso 1 dist 5.79139 6.0298 4.808 14.3527 10.8556 8.84225 numMergedOcc 0
44 mol 79 unq 6 iso 0 dist 8.84225 10.8556 4.808 8.87742 6.29733 7.63923 numMergedOcc 0
45 mol 79 unq 6 iso 1 dist 7.63923 6.29733 4.808 8.87742 10.8556 8.84225 numMergedOcc 0
46 mol 79 unq 7 iso 0 dist 5.79139 4.31939 6.20144 9.62311 5.79629 7.38548 numMergedOcc 0
47 mol 79 unq 7 iso 1 dist 7.38548 5.79629 6.20144 9.62311 4.31939 5.79139 numMergedOcc 0
48 mol 79 unq 6 iso 0 dist 5.79139 6.0298 4.808 9.62311 5.79629 6.72546 numMergedOcc 0
49 mol 79 unq 6 iso 1 dist 6.72546 5.79629 4.808 9.62311 6.0298 5.79139 numMergedOcc 0
50 mol 79 unq 7 iso 0 dist 7.63923 5.41884 6.20144 4.93468 5.79629 7.38548 numMergedOcc 0
51 mol 79 unq 7 iso 1 dist 7.38548 5.79629 6.20144 4.93468 5.41884 7.63923 numMergedOcc 0
52 mol 79 unq 7 iso 0 dist 7.63923 6.29733 4.808 4.93468 5.79629 6.72546 numMergedOcc 0
53 mol 79 unq 7 iso 1 dist 6.72546 5.79629 4.808 4.93468 6.29733 7.63923 numMergedOcc 0
54 mol 85 unq 0 iso 0 dist 8.04853 5.22259 6.67137 11.5179 13.6534 9.13593 numMergedOcc 0
55 mol 85 unq 0 iso 1 dist 9.13593 13.6534 6.67137 11.5179 5.22259 8.04853 numMergedOcc 0
56 mol 85 unq 1 iso 0 dist 8.04853 7.66499 7.04244 11.5179 13.6534 8.25144 numMergedOcc 0
57 mol 85 unq 1 iso 1 dist 8.25144 13.6534 7.04244 11.5179 7.66499 8.04853 numMergedOcc 0
58 mol 92 unq 0 iso 0 dist 8.4219 3.98877 8.10623 5.50508 9.18008 6.89071 numMergedOcc 0
59 mol 92 unq 0 iso 1 dist 6.89071 9.18008 8.10623 5.50508 3.98877 8.4219 numMergedOcc 0
60 mol 113 unq 0 iso 0 dist 5.35711 3.52111 7.02358 10.0094 14.7833 9.62952 numMergedOcc 0
61 mol 113 unq 0 iso 1 dist 9.62952 14.7833 7.02358 10.0094 3.52111 5.35711 numMergedOcc 0
62 mol 131 unq 0 iso 0 dist 7.84546 4.94367 7.53342 5.87084 4.60864 8.47526 numMergedOcc 0
63 mol 131 unq 0 iso 1 dist 8.47526 4.60864 7.53342 5.87084 4.94367 7.84546 numMergedOcc 0
64 mol 141 unq 0 iso 0 dist 4.92382 3.80087 4.88514 9.83945 13.8739 9.59109 numMergedOcc 0
65 mol 141 unq 0 iso 1 dist 9.59109 13.8739 4.88514 9.83945 3.80087 4.92382 numMergedOcc 0
66 mol 169 unq 0 iso 0 dist 7.85698 6.28646 5.10589 10.616 14.1141 9.84538 numMergedOcc 0
67 mol 169 unq 0 iso 1 dist 9.84538 14.1141 5.10589 10.616 6.28646 7.85698 numMergedOcc 0
68 mol 169 unq 1 iso 0 dist 6.35799 7.83748 5.10589 14.2117 14.1141 9.84538 numMergedOcc 0
69 mol 169 unq 1 iso 1 dist 9.84538 14.1141 5.10589 14.2117 7.83748 6.35799 numMergedOcc 0
70 mol 206 unq 0 iso 0 dist 5.17607 5.6074 6.80296 10.7298 9.36584 7.9416 numMergedOcc 0
71 mol 206 unq 0 iso 1 dist 7.9416 9.36584 6.80296 10.7298 5.6074 5.17607 numMergedOcc 0
72 mol 254 unq 0 iso 0 dist 9.31434 13.4911 9.20109 16.4757 11.9238 9.50951 numMergedOcc 0
73 mol 254 unq 0 iso 1 dist 9.50951 11.9238 9.20109 16.4757 13.4911 9.31434 numMergedOcc 0
74 mol 287 unq 0 iso 0 dist 9.25759 5.39801 4.68668 10.3435 9.88575 8.58427 numMergedOcc 0
75 mol 287 unq 0 iso 1 dist 8.58427 9.88575 4.68668 10.3435 5.39801 9.25759 numMergedOcc 0
76 mol 288 unq 0 iso 0 dist 9.25759 5.39801 4.68668 10.3435 9.88575 8.58427 numMergedOcc 0
77 mol 288 unq 0 iso 1 dist 8.58427 9.88575 4.68668 10.3435 5.39801 9.25759 numMergedOcc 0
78 mol 289 unq 0 iso 0 dist 9.25759 5.39801 4.68668 10.3435 9.88575 8.58427 numMergedOcc 0
79 mol 289 unq 0 iso 1 dist 8.58427 9.88575 4.68668 10.3435 5.39801 9.25759 numMergedOcc 0
