0 mol 28 unq 0 iso 0 dist 8.69709 10.8722 7.08766 18.1707 16.0765 9.2146 10.1459 3.70336 8.53424 16.4255 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.69709 10.8722 7.08766 18.1707 16.0765 9.2146 10.5639 3.0988 4.82199 13.6412 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.53419 3.57198 3.77542 5.43693 6.08836 5.4713 13.1965 9.4824 9.97314 14.1986 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.7836 11.505 6.5241 15.6785 9.94951 7.78689 14.3851 10.1674 8.22812 9.26377 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.7836 11.505 6.5241 15.6785 9.94951 7.78689 11.3217 5.61785 4.22002 4.88527 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.7836 11.505 6.5241 15.6785 9.94951 7.78689 13.8474 8.43495 5.77855 4.76279 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 5.7836 11.505 6.5241 15.6785 9.94951 7.78689 11.3188 6.20957 8.10774 5.56357 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 7.32996 13.357 8.0812 16.0533 8.95384 7.70645 18.0227 10.8994 8.14245 5.43784 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 7.32996 13.357 8.0812 16.0533 8.95384 7.70645 15.5445 9.94041 6.36817 9.7018 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 7.32996 13.357 8.0812 16.0533 8.95384 7.70645 13.8202 6.96103 4.17933 4.57947 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 7.32996 13.357 8.0812 16.0533 8.95384 7.70645 11.605 4.54874 5.54893 4.60843 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 5.82264 11.5388 6.36817 15.4035 9.7018 7.70645 11.2213 6.29252 8.14245 5.43784 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 5.82264 11.5388 6.36817 15.4035 9.7018 7.70645 14.3528 9.94041 8.0812 8.95384 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 5.82264 11.5388 6.36817 15.4035 9.7018 7.70645 11.342 5.553 4.17933 4.57947 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 5.82264 11.5388 6.36817 15.4035 9.7018 7.70645 13.6649 8.14415 5.54893 4.60843 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 7.20729 13.697 8.22812 16.2743 9.26377 7.78689 13.73 6.87266 4.22002 4.88527 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 7.20729 13.697 8.22812 16.2743 9.26377 7.78689 11.6534 4.62605 5.77855 4.76279 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 7.20729 13.697 8.22812 16.2743 9.26377 7.78689 17.948 10.9047 8.10774 5.56357 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 7.20729 13.697 8.22812 16.2743 9.26377 7.78689 15.8154 10.1674 6.5241 9.94951 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 5.73454 3.65036 5.37439 9.39276 4.10953 7.7927 8.2012 3.69391 8.3714 5.70353 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 5.73454 3.65036 5.37439 9.39276 4.10953 7.7927 7.1829 8.61401 6.36817 11.246 numMergedOcc 0
21 mol 48 unq 18 iso 0 dist 5.73454 3.65036 5.37439 9.00368 5.46483 6.17378 8.2012 3.69391 8.3714 7.86518 numMergedOcc 0
22 mol 48 unq 19 iso 0 dist 5.73454 3.65036 5.37439 9.00368 5.46483 6.17378 7.1829 8.61401 6.36817 9.92075 numMergedOcc 0
23 mol 48 unq 20 iso 0 dist 8.2012 3.65036 8.3714 9.39276 5.70353 7.7927 5.73454 3.69391 5.37439 4.10953 numMergedOcc 0
24 mol 48 unq 21 iso 0 dist 8.2012 3.65036 8.3714 9.39276 5.70353 7.7927 7.1829 9.16142 6.36817 11.246 numMergedOcc 0
25 mol 48 unq 22 iso 0 dist 8.2012 3.65036 8.3714 9.00368 7.86518 6.17378 5.73454 3.69391 5.37439 5.46483 numMergedOcc 0
26 mol 48 unq 23 iso 0 dist 8.2012 3.65036 8.3714 9.00368 7.86518 6.17378 7.1829 9.16142 6.36817 9.92075 numMergedOcc 0
27 mol 48 unq 24 iso 0 dist 8.56365 6.34854 6.36817 12.7381 9.7018 7.70645 12.8942 6.29252 8.14245 5.43784 numMergedOcc 0
28 mol 48 unq 25 iso 0 dist 8.56365 6.34854 6.36817 12.7381 9.7018 7.70645 7.47783 9.94041 8.0812 8.95384 numMergedOcc 0
29 mol 48 unq 26 iso 0 dist 8.56365 6.34854 6.36817 12.7381 9.7018 7.70645 8.74151 5.553 4.17933 4.57947 numMergedOcc 0
30 mol 48 unq 27 iso 0 dist 8.56365 6.34854 6.36817 12.7381 9.7018 7.70645 8.69662 8.14415 5.54893 4.60843 numMergedOcc 0
31 mol 48 unq 28 iso 0 dist 7.47783 6.34854 8.0812 12.7381 8.95384 7.70645 12.8942 10.8994 8.14245 5.43784 numMergedOcc 0
32 mol 48 unq 29 iso 0 dist 7.47783 6.34854 8.0812 12.7381 8.95384 7.70645 8.56365 9.94041 6.36817 9.7018 numMergedOcc 0
33 mol 48 unq 30 iso 0 dist 7.47783 6.34854 8.0812 12.7381 8.95384 7.70645 8.74151 6.96103 4.17933 4.57947 numMergedOcc 0
34 mol 48 unq 31 iso 0 dist 7.47783 6.34854 8.0812 12.7381 8.95384 7.70645 8.69662 4.54874 5.54893 4.60843 numMergedOcc 0
35 mol 48 unq 32 iso 0 dist 8.74151 6.34854 4.17933 12.7381 4.57947 7.70645 12.8942 4.73799 8.14245 5.43784 numMergedOcc 0
36 mol 48 unq 33 iso 0 dist 8.74151 6.34854 4.17933 12.7381 4.57947 7.70645 8.56365 5.553 6.36817 9.7018 numMergedOcc 0
37 mol 48 unq 34 iso 0 dist 8.74151 6.34854 4.17933 12.7381 4.57947 7.70645 7.47783 6.96103 8.0812 8.95384 numMergedOcc 0
38 mol 48 unq 35 iso 0 dist 8.74151 6.34854 4.17933 12.7381 4.57947 7.70645 8.69662 3.18526 5.54893 4.60843 numMergedOcc 0
39 mol 48 unq 36 iso 0 dist 8.69662 6.34854 5.54893 12.7381 4.60843 7.70645 12.8942 7.19576 8.14245 5.43784 numMergedOcc 0
40 mol 48 unq 37 iso 0 dist 8.69662 6.34854 5.54893 12.7381 4.60843 7.70645 8.56365 8.14415 6.36817 9.7018 numMergedOcc 0
41 mol 48 unq 38 iso 0 dist 8.69662 6.34854 5.54893 12.7381 4.60843 7.70645 7.47783 4.54874 8.0812 8.95384 numMergedOcc 0
42 mol 48 unq 39 iso 0 dist 8.69662 6.34854 5.54893 12.7381 4.60843 7.70645 8.74151 3.18526 4.17933 4.57947 numMergedOcc 0
43 mol 48 unq 40 iso 0 dist 7.1829 3.65036 6.36817 9.39276 11.246 7.7927 5.73454 8.61401 5.37439 4.10953 numMergedOcc 0
44 mol 48 unq 41 iso 0 dist 7.1829 3.65036 6.36817 9.39276 11.246 7.7927 8.2012 9.16142 8.3714 5.70353 numMergedOcc 0
45 mol 48 unq 42 iso 0 dist 7.1829 3.65036 6.36817 9.00368 9.92075 6.17378 5.73454 8.61401 5.37439 5.46483 numMergedOcc 0
46 mol 48 unq 43 iso 0 dist 7.1829 3.65036 6.36817 9.00368 9.92075 6.17378 8.2012 9.16142 8.3714 7.86518 numMergedOcc 0
47 mol 85 unq 0 iso 0 dist 8.04853 5.22259 6.67137 5.05893 3.65186 4.29937 11.3824 15.509 9.78707 12.2971 numMergedOcc 0
48 mol 85 unq 1 iso 0 dist 8.04853 5.22259 6.67137 5.71866 7.00044 3.65628 11.3824 15.509 9.78707 8.64367 numMergedOcc 0
49 mol 85 unq 2 iso 0 dist 8.04853 5.22259 6.67137 11.3323 16.1804 9.77774 11.3824 15.509 9.78707 3.21259 numMergedOcc 0
50 mol 85 unq 3 iso 0 dist 8.04853 7.66499 7.04244 5.05893 3.65186 5.37869 15.5788 10.1757 9.09711 11.8779 numMergedOcc 0
51 mol 85 unq 4 iso 0 dist 8.04853 7.66499 7.04244 5.05893 3.65186 5.37869 15.4163 11.3346 7.91193 11.7094 numMergedOcc 0
52 mol 85 unq 5 iso 0 dist 8.04853 7.66499 7.04244 5.05893 3.65186 5.37869 14.0171 10.1082 7.07839 10.0372 numMergedOcc 0
53 mol 85 unq 6 iso 0 dist 8.04853 7.66499 7.04244 5.05893 3.65186 5.37869 11.3824 15.509 9.63449 12.2971 numMergedOcc 0
54 mol 85 unq 7 iso 0 dist 8.04853 7.66499 7.04244 5.71866 7.00044 4.05415 15.5788 10.1757 9.09711 12.4835 numMergedOcc 0
55 mol 85 unq 8 iso 0 dist 8.04853 7.66499 7.04244 5.71866 7.00044 4.05415 15.4163 11.3346 7.91193 10.7591 numMergedOcc 0
56 mol 85 unq 9 iso 0 dist 8.04853 7.66499 7.04244 5.71866 7.00044 4.05415 14.0171 10.1082 7.07839 8.78995 numMergedOcc 0
57 mol 85 unq 10 iso 0 dist 8.04853 7.66499 7.04244 5.71866 7.00044 4.05415 11.3824 15.509 9.63449 8.64367 numMergedOcc 0
58 mol 85 unq 11 iso 0 dist 8.04853 7.66499 7.04244 11.3323 16.1804 9.97944 15.5788 10.1757 9.09711 17.9023 numMergedOcc 0
59 mol 85 unq 12 iso 0 dist 8.04853 7.66499 7.04244 11.3323 16.1804 9.97944 15.4163 11.3346 7.91193 15.1209 numMergedOcc 0
60 mol 85 unq 13 iso 0 dist 8.04853 7.66499 7.04244 11.3323 16.1804 9.97944 14.0171 10.1082 7.07839 14.2664 numMergedOcc 0
61 mol 85 unq 14 iso 0 dist 8.04853 7.66499 7.04244 11.3323 16.1804 9.97944 11.3824 15.509 9.63449 3.21259 numMergedOcc 0
62 mol 107 unq 0 iso 0 dist 7.89505 8.49625 8.19484 11.6742 8.32169 5.31375 10.5526 13.5807 8.88124 9.65216 numMergedOcc 0
63 mol 107 unq 1 iso 0 dist 7.89505 8.49625 8.19484 5.33764 3.40943 6.49371 10.5526 13.5807 8.88124 10.4294 numMergedOcc 0
64 mol 113 unq 0 iso 0 dist 7.40338 6.29259 5.31126 9.30645 9.59189 8.67025 10.4064 5.7147 4.49669 10.1118 numMergedOcc 0
65 mol 113 unq 1 iso 0 dist 7.40338 6.29259 5.31126 9.30645 9.59189 8.67025 11.5441 8.09465 6.00221 8.19901 numMergedOcc 0
66 mol 113 unq 2 iso 0 dist 7.40338 7.08122 7.16619 15.7833 13.8379 9.60127 10.4064 5.7147 5.88896 8.39067 numMergedOcc 0
67 mol 113 unq 3 iso 0 dist 6.23759 8.17309 5.31126 10.6797 9.59189 8.67025 11.148 5.7147 4.49669 10.1118 numMergedOcc 0
68 mol 113 unq 4 iso 0 dist 6.23759 8.17309 5.31126 10.6797 9.59189 8.67025 12.8832 8.09465 6.00221 8.19901 numMergedOcc 0
69 mol 113 unq 5 iso 0 dist 6.23759 9.30967 7.16619 18.0904 13.8379 9.60127 11.148 5.7147 5.88896 8.39067 numMergedOcc 0
70 mol 169 unq 0 iso 0 dist 7.85698 6.28646 5.10589 10.034 9.60496 8.6961 10.573 5.23644 4.63336 10.5251 numMergedOcc 0
71 mol 169 unq 1 iso 0 dist 7.85698 6.28646 5.10589 10.034 9.60496 8.6961 11.9922 7.52063 6.10715 8.67112 numMergedOcc 0
72 mol 169 unq 2 iso 0 dist 6.35799 7.83748 5.10589 11.0016 9.60496 8.6961 10.8214 5.23644 4.63336 10.5251 numMergedOcc 0
73 mol 169 unq 3 iso 0 dist 6.35799 7.83748 5.10589 11.0016 9.60496 8.6961 12.7569 7.52063 6.10715 8.67112 numMergedOcc 0
74 mol 186 unq 0 iso 0 dist 9.31569 9.73374 7.25595 12.7579 3.60793 8.17928 12.7028 6.13455 4.87942 4.79079 numMergedOcc 0
75 mol 186 unq 1 iso 0 dist 8.72743 14.2269 7.25595 9.45907 3.60793 8.17928 13.2736 6.13455 4.87942 4.79079 numMergedOcc 0
76 mol 194 unq 0 iso 0 dist 8.43182 7.29209 4.68722 4.19371 9.23342 5.89939 11.0347 5.61057 5.18325 10.3782 numMergedOcc 0
77 mol 194 unq 1 iso 0 dist 8.43182 7.29209 4.68722 9.71015 11.7699 8.18853 11.0347 5.61057 5.18325 13.0759 numMergedOcc 0
78 mol 214 unq 0 iso 0 dist 5.05626 6.28944 8.66082 5.31416 3.14057 9.59928 8.41013 10.5332 7.96338 8.88633 numMergedOcc 0
79 mol 214 unq 1 iso 0 dist 5.05626 6.28944 8.66082 5.44533 7.87816 7.70062 8.41013 10.5332 7.96338 3.64285 numMergedOcc 0
80 mol 214 unq 2 iso 0 dist 8.41013 6.28944 7.96338 5.31416 8.88633 9.59928 5.05626 10.5332 8.66082 3.14057 numMergedOcc 0
81 mol 214 unq 3 iso 0 dist 8.41013 6.28944 7.96338 5.44533 3.64285 7.70062 5.05626 10.5332 8.66082 7.87816 numMergedOcc 0
82 mol 254 unq 0 iso 0 dist 9.50951 11.9238 9.20109 13.3341 10.929 5.6417 11.5842 3.15539 7.85841 8.8967 numMergedOcc 0
83 mol 254 unq 1 iso 0 dist 9.50951 11.9238 9.20109 11.1806 10.706 7.42831 11.5842 3.15539 7.85841 9.42679 numMergedOcc 0
84 mol 260 unq 0 iso 0 dist 6.12343 3.60349 7.04263 6.75725 8.22506 8.51564 4.52405 8.76827 6.48099 3.68866 numMergedOcc 0
85 mol 260 unq 1 iso 0 dist 4.52405 3.60349 6.48099 6.75725 3.68866 8.51564 6.12343 8.76827 7.04263 8.22506 numMergedOcc 0
86 mol 285 unq 0 iso 0 dist 8.79261 8.78384 5.88958 16.3628 10.5542 7.73438 9.99125 4.87372 7.78121 12.5361 numMergedOcc 0
87 mol 285 unq 1 iso 0 dist 9.99125 8.78384 7.78121 16.3628 12.5361 7.73438 8.79261 4.87372 5.88958 10.5542 numMergedOcc 0
