0 mol 48 unq 0 iso 0 dist 5.7836 11.505 6.5241 6.17529 5.54472 8.66712 14.3851 10.1674 8.22812 14.8981 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 5.7836 11.505 6.5241 6.17529 5.54472 8.66712 11.3217 5.61785 4.22002 9.83205 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 5.7836 11.505 6.5241 6.17529 5.54472 8.66712 13.8474 8.43495 5.77855 12.8664 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 5.7836 11.505 6.5241 6.17529 5.54472 8.66712 11.3188 6.20957 8.10774 9.84914 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 5.7836 11.505 6.5241 9.78584 8.62369 9.07711 14.3851 10.1674 8.22812 16.5858 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 5.7836 11.505 6.5241 9.78584 8.62369 9.07711 11.3217 5.61785 4.22002 11.444 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 5.7836 11.505 6.5241 9.78584 8.62369 9.07711 13.8474 8.43495 5.77855 14.2734 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 5.7836 11.505 6.5241 9.78584 8.62369 9.07711 11.3188 6.20957 8.10774 11.9942 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 7.11491 11.6319 8.22812 5.39812 4.22002 6.87266 12.1255 5.62671 8.65524 8.96151 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 7.11491 11.6319 8.22812 8.55482 5.77855 4.62605 12.1255 5.62671 8.65524 9.02535 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 7.11491 11.6319 8.22812 3.59761 8.10774 10.9047 12.1255 5.62671 8.65524 13.4006 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 7.11491 11.6319 8.22812 3.50984 6.5241 10.1674 12.1255 5.62671 8.65524 10.2447 numMergedOcc 0
12 mol 48 unq 12 iso 0 dist 7.11491 5.39812 4.22002 11.6319 8.22812 6.87266 12.1255 5.62671 8.96151 8.65524 numMergedOcc 0
13 mol 48 unq 13 iso 0 dist 7.11491 5.39812 4.22002 8.55482 5.77855 3.23184 12.1255 5.62671 8.96151 9.02535 numMergedOcc 0
14 mol 48 unq 14 iso 0 dist 7.11491 5.39812 4.22002 3.59761 8.10774 4.78728 12.1255 5.62671 8.96151 13.4006 numMergedOcc 0
15 mol 48 unq 15 iso 0 dist 7.11491 5.39812 4.22002 3.50984 6.5241 5.61785 12.1255 5.62671 8.96151 10.2447 numMergedOcc 0
16 mol 48 unq 16 iso 0 dist 7.11491 8.55482 5.77855 11.6319 8.22812 4.62605 12.1255 5.62671 9.02535 8.65524 numMergedOcc 0
17 mol 48 unq 17 iso 0 dist 7.11491 8.55482 5.77855 5.39812 4.22002 3.23184 12.1255 5.62671 9.02535 8.96151 numMergedOcc 0
18 mol 48 unq 18 iso 0 dist 7.11491 8.55482 5.77855 3.59761 8.10774 7.18912 12.1255 5.62671 9.02535 13.4006 numMergedOcc 0
19 mol 48 unq 19 iso 0 dist 7.11491 8.55482 5.77855 3.50984 6.5241 8.43495 12.1255 5.62671 9.02535 10.2447 numMergedOcc 0
20 mol 48 unq 20 iso 0 dist 7.11491 3.50984 6.5241 11.6319 8.22812 10.1674 6.28603 8.66712 5.54472 14.8981 numMergedOcc 0
21 mol 48 unq 21 iso 0 dist 7.11491 3.50984 6.5241 11.6319 8.22812 10.1674 8.80303 9.07711 8.62369 16.5858 numMergedOcc 0
22 mol 48 unq 22 iso 0 dist 7.11491 3.50984 6.5241 5.39812 4.22002 5.61785 6.28603 8.66712 5.54472 9.83205 numMergedOcc 0
23 mol 48 unq 23 iso 0 dist 7.11491 3.50984 6.5241 5.39812 4.22002 5.61785 8.80303 9.07711 8.62369 11.444 numMergedOcc 0
24 mol 48 unq 24 iso 0 dist 7.11491 3.50984 6.5241 8.55482 5.77855 8.43495 6.28603 8.66712 5.54472 12.8664 numMergedOcc 0
25 mol 48 unq 25 iso 0 dist 7.11491 3.50984 6.5241 8.55482 5.77855 8.43495 8.80303 9.07711 8.62369 14.2734 numMergedOcc 0
26 mol 48 unq 26 iso 0 dist 7.11491 3.50984 6.5241 3.59761 8.10774 6.20957 6.28603 8.66712 5.54472 9.84914 numMergedOcc 0
27 mol 48 unq 27 iso 0 dist 7.11491 3.50984 6.5241 3.59761 8.10774 6.20957 8.80303 9.07711 8.62369 11.9942 numMergedOcc 0
28 mol 48 unq 28 iso 0 dist 5.82264 11.5388 6.36817 6.30002 5.37439 8.61401 11.2213 6.29252 8.14245 9.29472 numMergedOcc 0
29 mol 48 unq 29 iso 0 dist 5.82264 11.5388 6.36817 6.30002 5.37439 8.61401 14.3528 9.94041 8.0812 14.7286 numMergedOcc 0
30 mol 48 unq 30 iso 0 dist 5.82264 11.5388 6.36817 6.30002 5.37439 8.61401 11.342 5.553 4.17933 9.47823 numMergedOcc 0
31 mol 48 unq 31 iso 0 dist 5.82264 11.5388 6.36817 6.30002 5.37439 8.61401 13.6649 8.14415 5.54893 12.439 numMergedOcc 0
32 mol 48 unq 32 iso 0 dist 5.82264 11.5388 6.36817 9.72383 8.3714 9.16142 11.2213 6.29252 8.14245 11.3622 numMergedOcc 0
33 mol 48 unq 33 iso 0 dist 5.82264 11.5388 6.36817 9.72383 8.3714 9.16142 14.3528 9.94041 8.0812 16.5312 numMergedOcc 0
34 mol 48 unq 34 iso 0 dist 5.82264 11.5388 6.36817 9.72383 8.3714 9.16142 11.342 5.553 4.17933 11.095 numMergedOcc 0
35 mol 48 unq 35 iso 0 dist 5.82264 11.5388 6.36817 9.72383 8.3714 9.16142 13.6649 8.14415 5.54893 13.9254 numMergedOcc 0
36 mol 48 unq 36 iso 0 dist 7.20729 10.8889 8.65524 13.697 8.22812 5.62671 13.73 6.87266 8.96151 4.22002 numMergedOcc 0
37 mol 48 unq 37 iso 0 dist 7.20729 10.8889 8.65524 13.697 8.22812 5.62671 11.6534 4.62605 9.02535 5.77855 numMergedOcc 0
38 mol 48 unq 38 iso 0 dist 7.20729 13.697 8.22812 10.8889 8.65524 5.62671 13.73 6.87266 4.22002 8.96151 numMergedOcc 0
39 mol 48 unq 39 iso 0 dist 7.20729 13.697 8.22812 10.8889 8.65524 5.62671 11.6534 4.62605 5.77855 9.02535 numMergedOcc 0
40 mol 48 unq 40 iso 0 dist 7.20729 13.697 8.22812 10.8889 8.65524 5.62671 17.948 10.9047 8.10774 13.4006 numMergedOcc 0
41 mol 48 unq 41 iso 0 dist 7.20729 13.697 8.22812 10.8889 8.65524 5.62671 15.8154 10.1674 6.5241 10.2447 numMergedOcc 0
42 mol 48 unq 42 iso 0 dist 8.56365 6.34854 6.36817 11.2833 5.37439 8.61401 12.8942 6.29252 8.14245 9.29472 numMergedOcc 0
43 mol 48 unq 43 iso 0 dist 8.56365 6.34854 6.36817 11.2833 5.37439 8.61401 7.47783 9.94041 8.0812 14.7286 numMergedOcc 0
44 mol 48 unq 44 iso 0 dist 8.56365 6.34854 6.36817 11.2833 5.37439 8.61401 8.74151 5.553 4.17933 9.47823 numMergedOcc 0
45 mol 48 unq 45 iso 0 dist 8.56365 6.34854 6.36817 11.2833 5.37439 8.61401 8.69662 8.14415 5.54893 12.439 numMergedOcc 0
46 mol 48 unq 46 iso 0 dist 8.56365 6.34854 6.36817 12.3471 8.3714 9.16142 12.8942 6.29252 8.14245 11.3622 numMergedOcc 0
47 mol 48 unq 47 iso 0 dist 8.56365 6.34854 6.36817 12.3471 8.3714 9.16142 7.47783 9.94041 8.0812 16.5312 numMergedOcc 0
48 mol 48 unq 48 iso 0 dist 8.56365 6.34854 6.36817 12.3471 8.3714 9.16142 8.74151 5.553 4.17933 11.095 numMergedOcc 0
49 mol 48 unq 49 iso 0 dist 8.56365 6.34854 6.36817 12.3471 8.3714 9.16142 8.69662 8.14415 5.54893 13.9254 numMergedOcc 0
50 mol 48 unq 50 iso 0 dist 7.1829 3.65036 6.36817 3.60121 8.14245 6.29252 5.73454 8.61401 5.37439 9.29472 numMergedOcc 0
51 mol 48 unq 51 iso 0 dist 7.1829 3.65036 6.36817 3.60121 8.14245 6.29252 8.2012 9.16142 8.3714 11.3622 numMergedOcc 0
52 mol 48 unq 52 iso 0 dist 7.1829 3.65036 6.36817 11.611 8.0812 9.94041 5.73454 8.61401 5.37439 14.7286 numMergedOcc 0
53 mol 48 unq 53 iso 0 dist 7.1829 3.65036 6.36817 11.611 8.0812 9.94041 8.2012 9.16142 8.3714 16.5312 numMergedOcc 0
54 mol 48 unq 54 iso 0 dist 7.1829 3.65036 6.36817 5.37655 4.17933 5.553 5.73454 8.61401 5.37439 9.47823 numMergedOcc 0
55 mol 48 unq 55 iso 0 dist 7.1829 3.65036 6.36817 5.37655 4.17933 5.553 8.2012 9.16142 8.3714 11.095 numMergedOcc 0
56 mol 48 unq 56 iso 0 dist 7.1829 3.65036 6.36817 8.48119 5.54893 8.14415 5.73454 8.61401 5.37439 12.439 numMergedOcc 0
57 mol 48 unq 57 iso 0 dist 7.1829 3.65036 6.36817 8.48119 5.54893 8.14415 8.2012 9.16142 8.3714 13.9254 numMergedOcc 0
58 mol 79 unq 0 iso 0 dist 8.84225 10.8556 4.808 6.07693 4.15789 5.30569 13.2872 7.13643 6.20144 9.56766 numMergedOcc 0
59 mol 79 unq 1 iso 0 dist 5.79139 6.0298 4.808 4.31939 6.20144 7.13643 9.44983 5.30569 4.15789 9.56766 numMergedOcc 0
60 mol 79 unq 2 iso 0 dist 7.63923 6.29733 4.808 5.41884 6.20144 7.13643 7.56495 5.30569 4.15789 9.56766 numMergedOcc 0
61 mol 79 unq 3 iso 0 dist 6.72546 5.79629 4.808 5.25584 4.15789 5.30569 7.38548 7.13643 6.20144 9.56766 numMergedOcc 0
62 mol 83 unq 0 iso 0 dist 8.99451 13.9971 6.96722 8.98065 7.50925 6.91034 14.5056 5.72008 7.61085 11.9491 numMergedOcc 0
63 mol 85 unq 0 iso 0 dist 8.04853 5.22259 6.67137 7.66499 7.04244 2.58673 11.3824 15.509 9.78707 9.63449 numMergedOcc 0
64 mol 85 unq 1 iso 0 dist 8.04853 7.66499 7.04244 5.22259 6.67137 2.58673 15.5788 10.1757 9.09711 10.9264 numMergedOcc 0
65 mol 85 unq 2 iso 0 dist 8.04853 7.66499 7.04244 5.22259 6.67137 2.58673 14.0171 10.1082 7.07839 9.52926 numMergedOcc 0
66 mol 85 unq 3 iso 0 dist 8.04853 7.66499 7.04244 5.22259 6.67137 2.58673 15.4163 11.3346 7.91193 10.4386 numMergedOcc 0
67 mol 85 unq 4 iso 0 dist 8.04853 7.66499 7.04244 5.22259 6.67137 2.58673 11.3824 15.509 9.63449 9.78707 numMergedOcc 0
68 mol 85 unq 5 iso 0 dist 9.13593 13.6534 6.67137 3.93938 9.78707 15.509 8.25144 2.58673 7.04244 9.63449 numMergedOcc 0
69 mol 85 unq 6 iso 0 dist 9.13593 3.93938 9.78707 13.6534 6.67137 15.509 8.25144 2.58673 9.63449 7.04244 numMergedOcc 0
70 mol 85 unq 7 iso 0 dist 8.25144 13.6534 7.04244 9.66391 7.07839 10.1082 9.13593 2.58673 6.67137 9.52926 numMergedOcc 0
71 mol 85 unq 8 iso 0 dist 8.25144 13.6534 7.04244 11.6517 7.91193 11.3346 9.13593 2.58673 6.67137 10.4386 numMergedOcc 0
72 mol 85 unq 9 iso 0 dist 8.25144 13.6534 7.04244 3.93938 9.63449 15.509 9.13593 2.58673 6.67137 9.78707 numMergedOcc 0
73 mol 85 unq 10 iso 0 dist 8.25144 13.6534 7.04244 15.6454 9.09711 10.1757 9.13593 2.58673 6.67137 10.9264 numMergedOcc 0
74 mol 85 unq 11 iso 0 dist 8.25144 3.93938 9.63449 9.66391 7.07839 12.8332 9.13593 2.58673 9.78707 9.52926 numMergedOcc 0
75 mol 85 unq 12 iso 0 dist 8.25144 3.93938 9.63449 13.6534 7.04244 15.509 9.13593 2.58673 9.78707 6.67137 numMergedOcc 0
76 mol 85 unq 13 iso 0 dist 8.25144 3.93938 9.63449 11.6517 7.91193 14.2704 9.13593 2.58673 9.78707 10.4386 numMergedOcc 0
77 mol 85 unq 14 iso 0 dist 8.25144 3.93938 9.63449 15.6454 9.09711 17.7038 9.13593 2.58673 9.78707 10.9264 numMergedOcc 0
78 mol 111 unq 0 iso 0 dist 9.72371 8.83426 4.91212 16.815 9.34782 8.72808 14.0599 6.13173 9.74162 12.5922 numMergedOcc 0
79 mol 113 unq 0 iso 0 dist 7.40338 6.29259 5.31126 7.08122 7.16619 2.75715 10.4064 5.7147 4.49669 5.88896 numMergedOcc 0
80 mol 113 unq 1 iso 0 dist 7.40338 6.29259 5.31126 7.08122 7.16619 2.75715 11.5441 8.09465 6.00221 7.84239 numMergedOcc 0
81 mol 113 unq 2 iso 0 dist 7.40338 7.08122 7.16619 6.29259 5.31126 2.75715 10.4064 5.7147 5.88896 4.49669 numMergedOcc 0
82 mol 113 unq 3 iso 0 dist 6.23759 8.17309 5.31126 9.30967 7.16619 2.75715 11.148 5.7147 4.49669 5.88896 numMergedOcc 0
83 mol 113 unq 4 iso 0 dist 6.23759 8.17309 5.31126 9.30967 7.16619 2.75715 12.8832 8.09465 6.00221 7.84239 numMergedOcc 0
84 mol 113 unq 5 iso 0 dist 6.23759 9.30967 7.16619 8.17309 5.31126 2.75715 11.148 5.7147 5.88896 4.49669 numMergedOcc 0
85 mol 123 unq 0 iso 0 dist 7.30244 4.10526 8.03692 7.88813 5.56127 10.2185 9.42762 8.77423 8.78115 13.5017 numMergedOcc 0
86 mol 123 unq 1 iso 0 dist 7.30244 4.10526 8.03692 12.6384 5.36214 13.0033 9.42762 8.77423 8.78115 12.1434 numMergedOcc 0
87 mol 186 unq 0 iso 0 dist 9.31569 9.73374 7.25595 7.47658 9.94825 12.8007 12.7028 6.13455 4.87942 14.922 numMergedOcc 0
88 mol 186 unq 1 iso 0 dist 8.72743 14.2269 7.25595 9.76301 9.94825 12.8007 13.2736 6.13455 4.87942 14.922 numMergedOcc 0
89 mol 194 unq 0 iso 0 dist 8.43182 7.29209 4.68722 3.7326 5.10542 3.78714 11.0347 5.61057 5.18325 7.52366 numMergedOcc 0
90 mol 214 unq 0 iso 0 dist 8.41013 6.28944 7.96338 7.23583 7.42759 2.86233 5.05626 10.5332 8.66082 10.7359 numMergedOcc 0
91 mol 281 unq 0 iso 0 dist 6.18742 11.7772 6.69267 3.78169 7.90368 12.7734 6.8089 3.77058 6.56886 9.46544 numMergedOcc 0
92 mol 281 unq 1 iso 0 dist 6.8089 11.7772 6.56886 10.3992 5.33372 10.2487 6.18742 3.77058 6.69267 8.70938 numMergedOcc 0
