0 mol 5 unq 0 iso 0 dist 6.86923 11.3755 7.50453 10.7591 5.69239 3.33561 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.95226 10.3572 7.50453 10.9809 5.69239 3.33561 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 4.60775 5.90479 7.50453 3.91535 5.69239 3.33561 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.64744 4.59167 7.50453 6.94674 5.69239 3.33561 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 9.22067 9.65891 8.34817 6.62108 9.70883 13.2371 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 9.22067 9.65891 8.34817 12.0343 9.65565 3.24598 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 8.49537 7.69461 8.34817 14.7887 9.70883 13.2371 numMergedOcc 0
7 mol 5 unq 7 iso 0 dist 8.49537 7.69461 8.34817 8.65468 9.65565 3.24598 numMergedOcc 0
8 mol 11 unq 0 iso 0 dist 5.47299 12.9682 9.89425 7.27588 6.83186 12.0683 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 7.61183 5.37421 7.7447 14.3151 8.25818 11.1587 numMergedOcc 0
10 mol 46 unq 0 iso 0 dist 7.44805 3.66253 5.4713 6.81182 3.77542 6.08836 numMergedOcc 0
11 mol 46 unq 1 iso 0 dist 7.44805 3.66253 5.4713 16.1056 9.97314 14.1986 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 6.89752 9.11789 7.7927 6.42565 5.37439 4.10953 numMergedOcc 0
13 mol 48 unq 1 iso 0 dist 6.89752 9.11789 7.7927 5.7824 8.3714 5.70353 numMergedOcc 0
14 mol 48 unq 2 iso 0 dist 6.89752 9.11789 7.7927 3.72746 6.36817 11.246 numMergedOcc 0
15 mol 48 unq 3 iso 0 dist 6.89752 8.94949 6.17378 6.42565 5.37439 5.46483 numMergedOcc 0
16 mol 48 unq 4 iso 0 dist 6.89752 8.94949 6.17378 5.7824 8.3714 7.86518 numMergedOcc 0
17 mol 48 unq 5 iso 0 dist 6.89752 8.94949 6.17378 3.72746 6.36817 9.92075 numMergedOcc 0
18 mol 62 unq 0 iso 0 dist 7.01397 11.5628 7.16844 7.90686 4.46067 3.73834 numMergedOcc 0
19 mol 76 unq 0 iso 0 dist 9.50939 6.1999 5.45099 8.58474 7.66068 3.35924 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 8.67342 7.74857 4.29937 4.8069 6.67137 3.65186 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 8.67342 7.74857 4.29937 18.1303 9.78707 12.2971 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 8.67342 10.4876 3.65628 4.8069 6.67137 7.00044 numMergedOcc 0
23 mol 85 unq 3 iso 0 dist 8.67342 10.4876 3.65628 18.1303 9.78707 8.64367 numMergedOcc 0
24 mol 85 unq 4 iso 0 dist 8.67342 18.2213 9.77774 4.8069 6.67137 16.1804 numMergedOcc 0
25 mol 85 unq 5 iso 0 dist 8.67342 18.2213 9.77774 18.1303 9.78707 3.21259 numMergedOcc 0
26 mol 85 unq 6 iso 0 dist 8.60062 7.74857 5.37869 11.1042 7.07839 10.0372 numMergedOcc 0
27 mol 85 unq 7 iso 0 dist 8.60062 7.74857 5.37869 7.55572 9.09711 11.8779 numMergedOcc 0
28 mol 85 unq 8 iso 0 dist 8.60062 7.74857 5.37869 4.8069 7.04244 3.65186 numMergedOcc 0
29 mol 85 unq 9 iso 0 dist 8.60062 7.74857 5.37869 10.9585 7.91193 11.7094 numMergedOcc 0
30 mol 85 unq 10 iso 0 dist 8.60062 7.74857 5.37869 18.1303 9.63449 12.2971 numMergedOcc 0
31 mol 85 unq 11 iso 0 dist 8.60062 10.4876 4.05415 11.1042 7.07839 8.78995 numMergedOcc 0
32 mol 85 unq 12 iso 0 dist 8.60062 10.4876 4.05415 7.55572 9.09711 12.4835 numMergedOcc 0
33 mol 85 unq 13 iso 0 dist 8.60062 10.4876 4.05415 4.8069 7.04244 7.00044 numMergedOcc 0
34 mol 85 unq 14 iso 0 dist 8.60062 10.4876 4.05415 10.9585 7.91193 10.7591 numMergedOcc 0
35 mol 85 unq 15 iso 0 dist 8.60062 10.4876 4.05415 18.1303 9.63449 8.64367 numMergedOcc 0
36 mol 85 unq 16 iso 0 dist 8.60062 18.2213 9.97944 11.1042 7.07839 14.2664 numMergedOcc 0
37 mol 85 unq 17 iso 0 dist 8.60062 18.2213 9.97944 7.55572 9.09711 17.9023 numMergedOcc 0
38 mol 85 unq 18 iso 0 dist 8.60062 18.2213 9.97944 4.8069 7.04244 16.1804 numMergedOcc 0
39 mol 85 unq 19 iso 0 dist 8.60062 18.2213 9.97944 10.9585 7.91193 15.1209 numMergedOcc 0
40 mol 85 unq 20 iso 0 dist 8.60062 18.2213 9.97944 18.1303 9.63449 3.21259 numMergedOcc 0
41 mol 85 unq 21 iso 0 dist 5.73739 9.36582 4.29937 10.0178 6.67137 3.65186 numMergedOcc 0
42 mol 85 unq 22 iso 0 dist 5.73739 9.36582 4.29937 12.1664 9.78707 12.2971 numMergedOcc 0
43 mol 85 unq 23 iso 0 dist 5.73739 8.8983 3.65628 10.0178 6.67137 7.00044 numMergedOcc 0
44 mol 85 unq 24 iso 0 dist 5.73739 8.8983 3.65628 12.1664 9.78707 8.64367 numMergedOcc 0
45 mol 85 unq 25 iso 0 dist 5.73739 11.1809 9.77774 10.0178 6.67137 16.1804 numMergedOcc 0
46 mol 85 unq 26 iso 0 dist 5.73739 11.1809 9.77774 12.1664 9.78707 3.21259 numMergedOcc 0
47 mol 85 unq 27 iso 0 dist 5.16225 9.36582 5.37869 10.0529 7.07839 10.0372 numMergedOcc 0
48 mol 85 unq 28 iso 0 dist 5.16225 9.36582 5.37869 8.41797 9.09711 11.8779 numMergedOcc 0
49 mol 85 unq 29 iso 0 dist 5.16225 9.36582 5.37869 10.0178 7.04244 3.65186 numMergedOcc 0
50 mol 85 unq 30 iso 0 dist 5.16225 9.36582 5.37869 9.0874 7.91193 11.7094 numMergedOcc 0
51 mol 85 unq 31 iso 0 dist 5.16225 9.36582 5.37869 12.1664 9.63449 12.2971 numMergedOcc 0
52 mol 85 unq 32 iso 0 dist 5.16225 8.8983 4.05415 10.0529 7.07839 8.78995 numMergedOcc 0
53 mol 85 unq 33 iso 0 dist 5.16225 8.8983 4.05415 8.41797 9.09711 12.4835 numMergedOcc 0
54 mol 85 unq 34 iso 0 dist 5.16225 8.8983 4.05415 10.0178 7.04244 7.00044 numMergedOcc 0
55 mol 85 unq 35 iso 0 dist 5.16225 8.8983 4.05415 9.0874 7.91193 10.7591 numMergedOcc 0
56 mol 85 unq 36 iso 0 dist 5.16225 8.8983 4.05415 12.1664 9.63449 8.64367 numMergedOcc 0
57 mol 85 unq 37 iso 0 dist 5.16225 11.1809 9.97944 10.0529 7.07839 14.2664 numMergedOcc 0
58 mol 85 unq 38 iso 0 dist 5.16225 11.1809 9.97944 8.41797 9.09711 17.9023 numMergedOcc 0
59 mol 85 unq 39 iso 0 dist 5.16225 11.1809 9.97944 10.0178 7.04244 16.1804 numMergedOcc 0
60 mol 85 unq 40 iso 0 dist 5.16225 11.1809 9.97944 9.0874 7.91193 15.1209 numMergedOcc 0
61 mol 85 unq 41 iso 0 dist 5.16225 11.1809 9.97944 12.1664 9.63449 3.21259 numMergedOcc 0
62 mol 101 unq 0 iso 0 dist 7.33426 9.92742 9.33112 9.71802 8.19144 7.5541 numMergedOcc 0
63 mol 101 unq 1 iso 0 dist 8.17175 3.73374 9.33112 4.97717 8.19144 7.5541 numMergedOcc 0
64 mol 131 unq 0 iso 0 dist 7.34765 9.35007 8.49847 3.82317 7.53342 6.95147 numMergedOcc 0
65 mol 147 unq 0 iso 0 dist 6.52283 4.13896 7.7464 6.18105 3.82583 5.19008 numMergedOcc 0
66 mol 147 unq 1 iso 0 dist 6.52283 4.13896 7.7464 6.86255 5.19116 5.27556 numMergedOcc 0
67 mol 147 unq 2 iso 0 dist 6.52283 4.74732 5.12272 6.18105 3.82583 3.7729 numMergedOcc 0
68 mol 147 unq 3 iso 0 dist 6.52283 4.74732 5.12272 6.86255 5.19116 6.34165 numMergedOcc 0
69 mol 147 unq 4 iso 0 dist 7.97305 4.74732 8.7121 6.18105 8.25768 3.7729 numMergedOcc 0
70 mol 147 unq 5 iso 0 dist 7.97305 4.74732 8.7121 6.86255 8.71702 6.34165 numMergedOcc 0
71 mol 158 unq 0 iso 0 dist 9.98554 5.47558 9.44964 7.59334 7.97228 5.70869 numMergedOcc 0
72 mol 169 unq 0 iso 0 dist 6.27378 7.58935 8.6961 10.1931 5.10589 9.60496 numMergedOcc 0
73 mol 169 unq 1 iso 0 dist 6.27378 7.58935 8.6961 10.5136 4.63336 10.5251 numMergedOcc 0
74 mol 169 unq 2 iso 0 dist 6.27378 7.58935 8.6961 10.212 6.10715 8.67112 numMergedOcc 0
75 mol 254 unq 0 iso 0 dist 9.83135 7.03003 5.6417 9.22906 7.85841 8.8967 numMergedOcc 0
76 mol 254 unq 1 iso 0 dist 9.83135 7.03003 5.6417 12.319 9.20109 10.929 numMergedOcc 0
77 mol 254 unq 2 iso 0 dist 9.83135 9.54026 7.42831 9.22906 7.85841 9.42679 numMergedOcc 0
78 mol 254 unq 3 iso 0 dist 9.83135 9.54026 7.42831 12.319 9.20109 10.706 numMergedOcc 0
79 mol 256 unq 0 iso 0 dist 9.49634 9.16183 7.32564 5.16057 5.58222 4.96861 numMergedOcc 0
80 mol 260 unq 0 iso 0 dist 4.76164 14.0954 9.73217 9.45061 8.62655 15.6308 numMergedOcc 0
81 mol 260 unq 1 iso 0 dist 4.76164 4.58993 7.49606 9.45061 8.62655 7.35802 numMergedOcc 0
82 mol 260 unq 2 iso 0 dist 4.76164 3.69763 8.06377 9.45061 8.62655 10.4054 numMergedOcc 0
83 mol 266 unq 0 iso 0 dist 7.74133 15.5262 8.20376 13.3554 6.96692 3.68488 numMergedOcc 0
84 mol 266 unq 1 iso 0 dist 7.74133 15.5262 8.20376 15.2892 8.25286 3.14784 numMergedOcc 0
85 mol 266 unq 2 iso 0 dist 7.74133 15.5262 8.20376 16.6916 9.9965 5.95721 numMergedOcc 0
86 mol 287 unq 0 iso 0 dist 5.44942 6.71401 8.32982 5.1451 6.24487 5.55422 numMergedOcc 0
87 mol 287 unq 1 iso 0 dist 8.53689 4.06127 8.32982 7.5241 6.24487 5.55422 numMergedOcc 0
88 mol 287 unq 2 iso 0 dist 7.82157 10.5401 8.32982 5.15725 6.24487 5.55422 numMergedOcc 0
89 mol 287 unq 3 iso 0 dist 5.55176 5.06236 4.93516 5.13698 4.68668 3.66473 numMergedOcc 0
90 mol 288 unq 0 iso 0 dist 5.44942 6.71401 8.32982 5.1451 6.24487 5.55422 numMergedOcc 0
91 mol 288 unq 1 iso 0 dist 8.53689 4.06127 8.32982 7.5241 6.24487 5.55422 numMergedOcc 0
92 mol 288 unq 2 iso 0 dist 7.82157 10.5401 8.32982 5.15725 6.24487 5.55422 numMergedOcc 0
93 mol 288 unq 3 iso 0 dist 5.55176 5.06236 4.93516 5.13698 4.68668 3.66473 numMergedOcc 0
94 mol 289 unq 0 iso 0 dist 5.44942 6.71401 8.32982 5.1451 6.24487 5.55422 numMergedOcc 0
95 mol 289 unq 1 iso 0 dist 8.53689 4.06127 8.32982 7.5241 6.24487 5.55422 numMergedOcc 0
96 mol 289 unq 2 iso 0 dist 7.82157 10.5401 8.32982 5.15725 6.24487 5.55422 numMergedOcc 0
97 mol 289 unq 3 iso 0 dist 5.55176 5.06236 4.93516 5.13698 4.68668 3.66473 numMergedOcc 0
