0 mol 28 unq 0 iso 0 dist 8.69709 10.8722 7.08766 10.1459 3.70336 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.69709 10.8722 7.08766 10.5639 3.0988 4.82199 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.53419 3.57198 3.77542 13.1965 9.4824 9.97314 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.7836 11.505 6.5241 14.3851 10.1674 8.22812 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.7836 11.505 6.5241 11.3217 5.61785 4.22002 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.7836 11.505 6.5241 13.8474 8.43495 5.77855 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 5.7836 11.505 6.5241 11.3188 6.20957 8.10774 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 7.32996 13.357 8.0812 18.0227 10.8994 8.14245 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 7.32996 13.357 8.0812 15.5445 9.94041 6.36817 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 7.32996 13.357 8.0812 13.8202 6.96103 4.17933 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 7.32996 13.357 8.0812 11.605 4.54874 5.54893 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 6.28603 3.50984 5.54472 8.80303 3.86264 8.62369 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 6.28603 3.50984 5.54472 7.11491 8.66712 6.5241 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 8.80303 3.50984 8.62369 6.28603 3.86264 5.54472 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 8.80303 3.50984 8.62369 7.11491 9.07711 6.5241 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 7.11491 11.6319 8.22812 12.1255 5.62671 8.65524 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 7.11491 5.39812 4.22002 12.1255 5.62671 8.96151 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 7.11491 8.55482 5.77855 12.1255 5.62671 9.02535 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 7.11491 3.50984 6.5241 6.28603 8.66712 5.54472 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 7.11491 3.50984 6.5241 8.80303 9.07711 8.62369 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 5.82264 11.5388 6.36817 11.2213 6.29252 8.14245 numMergedOcc 0
21 mol 48 unq 18 iso 0 dist 5.82264 11.5388 6.36817 14.3528 9.94041 8.0812 numMergedOcc 0
22 mol 48 unq 19 iso 0 dist 5.82264 11.5388 6.36817 11.342 5.553 4.17933 numMergedOcc 0
23 mol 48 unq 20 iso 0 dist 5.82264 11.5388 6.36817 13.6649 8.14415 5.54893 numMergedOcc 0
24 mol 48 unq 21 iso 0 dist 7.20729 10.8889 8.65524 13.73 6.87266 8.96151 numMergedOcc 0
25 mol 48 unq 22 iso 0 dist 7.20729 10.8889 8.65524 11.6534 4.62605 9.02535 numMergedOcc 0
26 mol 48 unq 23 iso 0 dist 7.20729 13.697 8.22812 13.73 6.87266 4.22002 numMergedOcc 0
27 mol 48 unq 24 iso 0 dist 7.20729 13.697 8.22812 11.6534 4.62605 5.77855 numMergedOcc 0
28 mol 48 unq 25 iso 0 dist 7.20729 13.697 8.22812 17.948 10.9047 8.10774 numMergedOcc 0
29 mol 48 unq 26 iso 0 dist 7.20729 13.697 8.22812 15.8154 10.1674 6.5241 numMergedOcc 0
30 mol 48 unq 27 iso 0 dist 5.73454 3.65036 5.37439 8.2012 3.69391 8.3714 numMergedOcc 0
31 mol 48 unq 28 iso 0 dist 5.73454 3.65036 5.37439 7.1829 8.61401 6.36817 numMergedOcc 0
32 mol 48 unq 29 iso 0 dist 8.2012 3.65036 8.3714 5.73454 3.69391 5.37439 numMergedOcc 0
33 mol 48 unq 30 iso 0 dist 8.2012 3.65036 8.3714 7.1829 9.16142 6.36817 numMergedOcc 0
34 mol 48 unq 31 iso 0 dist 8.56365 6.34854 6.36817 12.8942 6.29252 8.14245 numMergedOcc 0
35 mol 48 unq 32 iso 0 dist 8.56365 6.34854 6.36817 7.47783 9.94041 8.0812 numMergedOcc 0
36 mol 48 unq 33 iso 0 dist 8.56365 6.34854 6.36817 8.74151 5.553 4.17933 numMergedOcc 0
37 mol 48 unq 34 iso 0 dist 8.56365 6.34854 6.36817 8.69662 8.14415 5.54893 numMergedOcc 0
38 mol 48 unq 35 iso 0 dist 7.47783 6.34854 8.0812 12.8942 10.8994 8.14245 numMergedOcc 0
39 mol 48 unq 36 iso 0 dist 7.47783 6.34854 8.0812 8.56365 9.94041 6.36817 numMergedOcc 0
40 mol 48 unq 37 iso 0 dist 7.47783 6.34854 8.0812 8.74151 6.96103 4.17933 numMergedOcc 0
41 mol 48 unq 38 iso 0 dist 7.47783 6.34854 8.0812 8.69662 4.54874 5.54893 numMergedOcc 0
42 mol 48 unq 39 iso 0 dist 8.74151 6.34854 4.17933 12.8942 4.73799 8.14245 numMergedOcc 0
43 mol 48 unq 40 iso 0 dist 8.74151 6.34854 4.17933 8.56365 5.553 6.36817 numMergedOcc 0
44 mol 48 unq 41 iso 0 dist 8.74151 6.34854 4.17933 7.47783 6.96103 8.0812 numMergedOcc 0
45 mol 48 unq 42 iso 0 dist 8.74151 6.34854 4.17933 8.69662 3.18526 5.54893 numMergedOcc 0
46 mol 48 unq 43 iso 0 dist 8.69662 6.34854 5.54893 12.8942 7.19576 8.14245 numMergedOcc 0
47 mol 48 unq 44 iso 0 dist 8.69662 6.34854 5.54893 8.56365 8.14415 6.36817 numMergedOcc 0
48 mol 48 unq 45 iso 0 dist 8.69662 6.34854 5.54893 7.47783 4.54874 8.0812 numMergedOcc 0
49 mol 48 unq 46 iso 0 dist 8.69662 6.34854 5.54893 8.74151 3.18526 4.17933 numMergedOcc 0
50 mol 48 unq 47 iso 0 dist 7.1829 3.65036 6.36817 5.73454 8.61401 5.37439 numMergedOcc 0
51 mol 48 unq 48 iso 0 dist 7.1829 3.65036 6.36817 8.2012 9.16142 8.3714 numMergedOcc 0
52 mol 79 unq 0 iso 0 dist 6.2576 4.37918 4.15789 9.11841 5.30569 4.808 numMergedOcc 0
53 mol 79 unq 1 iso 0 dist 8.96069 9.08423 4.15789 12.5055 5.30569 4.808 numMergedOcc 0
54 mol 79 unq 2 iso 0 dist 7.56495 6.29733 4.15789 7.63923 5.30569 4.808 numMergedOcc 0
55 mol 79 unq 3 iso 0 dist 8.84225 10.8556 4.808 13.2872 7.13643 6.20144 numMergedOcc 0
56 mol 79 unq 4 iso 0 dist 5.79139 6.0298 4.808 9.44983 5.30569 4.15789 numMergedOcc 0
57 mol 79 unq 5 iso 0 dist 7.63923 6.29733 4.808 7.56495 5.30569 4.15789 numMergedOcc 0
58 mol 79 unq 6 iso 0 dist 7.38548 5.79629 6.20144 6.72546 7.13643 4.808 numMergedOcc 0
59 mol 79 unq 7 iso 0 dist 6.72546 5.79629 4.808 7.38548 7.13643 6.20144 numMergedOcc 0
60 mol 83 unq 0 iso 0 dist 8.99451 13.9971 6.96722 14.5056 5.72008 7.61085 numMergedOcc 0
61 mol 85 unq 0 iso 0 dist 8.04853 5.22259 6.67137 11.3824 15.509 9.78707 numMergedOcc 0
62 mol 85 unq 1 iso 0 dist 8.04853 7.66499 7.04244 14.0171 10.1082 7.07839 numMergedOcc 0
63 mol 85 unq 2 iso 0 dist 8.04853 7.66499 7.04244 15.5788 10.1757 9.09711 numMergedOcc 0
64 mol 85 unq 3 iso 0 dist 8.04853 7.66499 7.04244 15.4163 11.3346 7.91193 numMergedOcc 0
65 mol 85 unq 4 iso 0 dist 8.04853 7.66499 7.04244 11.3824 15.509 9.63449 numMergedOcc 0
66 mol 85 unq 5 iso 0 dist 9.13593 13.6534 6.67137 8.25144 2.58673 7.04244 numMergedOcc 0
67 mol 85 unq 6 iso 0 dist 9.13593 3.93938 9.78707 8.25144 2.58673 9.63449 numMergedOcc 0
68 mol 85 unq 7 iso 0 dist 8.25144 13.6534 7.04244 9.13593 2.58673 6.67137 numMergedOcc 0
69 mol 85 unq 8 iso 0 dist 8.25144 3.93938 9.63449 9.13593 2.58673 9.78707 numMergedOcc 0
70 mol 107 unq 0 iso 0 dist 7.89505 8.49625 8.19484 10.5526 13.5807 8.88124 numMergedOcc 0
71 mol 111 unq 0 iso 0 dist 9.72371 8.83426 4.91212 14.0599 6.13173 9.74162 numMergedOcc 0
72 mol 113 unq 0 iso 0 dist 7.40338 6.29259 5.31126 10.4064 5.7147 4.49669 numMergedOcc 0
73 mol 113 unq 1 iso 0 dist 7.40338 6.29259 5.31126 11.5441 8.09465 6.00221 numMergedOcc 0
74 mol 113 unq 2 iso 0 dist 7.40338 7.08122 7.16619 10.4064 5.7147 5.88896 numMergedOcc 0
75 mol 113 unq 3 iso 0 dist 6.23759 8.17309 5.31126 11.148 5.7147 4.49669 numMergedOcc 0
76 mol 113 unq 4 iso 0 dist 6.23759 8.17309 5.31126 12.8832 8.09465 6.00221 numMergedOcc 0
77 mol 113 unq 5 iso 0 dist 6.23759 9.30967 7.16619 11.148 5.7147 5.88896 numMergedOcc 0
78 mol 123 unq 0 iso 0 dist 9.42762 4.10526 8.78115 7.30244 8.77423 8.03692 numMergedOcc 0
79 mol 123 unq 1 iso 0 dist 7.30244 4.10526 8.03692 9.42762 8.77423 8.78115 numMergedOcc 0
80 mol 128 unq 0 iso 0 dist 7.4442 6.30769 6.08651 10.8446 4.97239 7.76123 numMergedOcc 0
81 mol 169 unq 0 iso 0 dist 7.85698 6.28646 5.10589 10.573 5.23644 4.63336 numMergedOcc 0
82 mol 169 unq 1 iso 0 dist 7.85698 6.28646 5.10589 11.9922 7.52063 6.10715 numMergedOcc 0
83 mol 169 unq 2 iso 0 dist 6.35799 7.83748 5.10589 10.8214 5.23644 4.63336 numMergedOcc 0
84 mol 169 unq 3 iso 0 dist 6.35799 7.83748 5.10589 12.7569 7.52063 6.10715 numMergedOcc 0
85 mol 186 unq 0 iso 0 dist 9.31569 9.73374 7.25595 12.7028 6.13455 4.87942 numMergedOcc 0
86 mol 186 unq 1 iso 0 dist 8.72743 14.2269 7.25595 13.2736 6.13455 4.87942 numMergedOcc 0
87 mol 194 unq 0 iso 0 dist 8.43182 7.29209 4.68722 11.0347 5.61057 5.18325 numMergedOcc 0
88 mol 214 unq 0 iso 0 dist 5.05626 6.28944 8.66082 8.41013 10.5332 7.96338 numMergedOcc 0
89 mol 214 unq 1 iso 0 dist 8.41013 6.28944 7.96338 5.05626 10.5332 8.66082 numMergedOcc 0
90 mol 254 unq 0 iso 0 dist 9.50951 11.9238 9.20109 11.5842 3.15539 7.85841 numMergedOcc 0
91 mol 260 unq 0 iso 0 dist 6.12343 3.60349 7.04263 4.52405 8.76827 6.48099 numMergedOcc 0
92 mol 260 unq 1 iso 0 dist 4.52405 3.60349 6.48099 6.12343 8.76827 7.04263 numMergedOcc 0
93 mol 281 unq 0 iso 0 dist 6.18742 11.7772 6.69267 6.8089 3.77058 6.56886 numMergedOcc 0
94 mol 281 unq 1 iso 0 dist 6.8089 11.7772 6.56886 6.18742 3.77058 6.69267 numMergedOcc 0
95 mol 285 unq 0 iso 0 dist 8.79261 8.78384 5.88958 9.99125 4.87372 7.78121 numMergedOcc 0
96 mol 285 unq 1 iso 0 dist 9.99125 8.78384 7.78121 8.79261 4.87372 5.88958 numMergedOcc 0
