0 mol 11 unq 0 iso 0 dist 5.47299 12.6523 9.81983 12.9682 9.89425 9.74251 7.27588 6.83186 6.51674 12.0683 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.89752 11.0606 5.82264 9.11789 7.7927 5.50677 6.42565 5.37439 6.30002 4.10953 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.89752 11.0606 5.82264 9.11789 7.7927 5.50677 5.7824 8.3714 9.72383 5.70353 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.89752 11.0606 5.82264 9.11789 7.7927 5.50677 3.72746 6.36817 11.5388 11.246 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.89752 11.0606 5.82264 8.94949 6.17378 3.90503 6.42565 5.37439 6.30002 5.46483 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 6.89752 11.0606 5.82264 8.94949 6.17378 3.90503 5.7824 8.3714 9.72383 7.86518 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 6.89752 11.0606 5.82264 8.94949 6.17378 3.90503 3.72746 6.36817 11.5388 9.92075 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 6.89752 8.31475 8.56365 9.11789 7.7927 11.8248 6.42565 5.37439 11.2833 4.10953 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 6.89752 8.31475 8.56365 9.11789 7.7927 11.8248 5.7824 8.3714 12.3471 5.70353 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 6.89752 8.31475 8.56365 9.11789 7.7927 11.8248 3.72746 6.36817 6.34854 11.246 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 6.89752 8.31475 8.56365 8.94949 6.17378 9.10288 6.42565 5.37439 11.2833 5.46483 numMergedOcc 0
11 mol 48 unq 10 iso 0 dist 6.89752 8.31475 8.56365 8.94949 6.17378 9.10288 5.7824 8.3714 12.3471 7.86518 numMergedOcc 0
12 mol 48 unq 11 iso 0 dist 6.89752 8.31475 8.56365 8.94949 6.17378 9.10288 3.72746 6.36817 6.34854 9.92075 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 8.67342 16.5181 9.13593 7.74857 4.29937 10.797 4.8069 6.67137 13.6534 3.65186 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 8.67342 16.5181 9.13593 7.74857 4.29937 10.797 18.1303 9.78707 3.93938 12.2971 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 8.67342 16.5181 9.13593 10.4876 3.65628 7.04693 4.8069 6.67137 13.6534 7.00044 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 8.67342 16.5181 9.13593 10.4876 3.65628 7.04693 18.1303 9.78707 3.93938 8.64367 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 8.67342 16.5181 9.13593 18.2213 9.77774 6.7475 4.8069 6.67137 13.6534 16.1804 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 8.67342 16.5181 9.13593 18.2213 9.77774 6.7475 18.1303 9.78707 3.93938 3.21259 numMergedOcc 0
19 mol 85 unq 6 iso 0 dist 8.60062 16.5181 8.25144 7.74857 5.37869 10.797 7.55572 9.09711 15.6454 11.8779 numMergedOcc 0
20 mol 85 unq 7 iso 0 dist 8.60062 16.5181 8.25144 7.74857 5.37869 10.797 4.8069 7.04244 13.6534 3.65186 numMergedOcc 0
21 mol 85 unq 8 iso 0 dist 8.60062 16.5181 8.25144 7.74857 5.37869 10.797 11.1042 7.07839 9.66391 10.0372 numMergedOcc 0
22 mol 85 unq 9 iso 0 dist 8.60062 16.5181 8.25144 7.74857 5.37869 10.797 18.1303 9.63449 3.93938 12.2971 numMergedOcc 0
23 mol 85 unq 10 iso 0 dist 8.60062 16.5181 8.25144 7.74857 5.37869 10.797 10.9585 7.91193 11.6517 11.7094 numMergedOcc 0
24 mol 85 unq 11 iso 0 dist 8.60062 16.5181 8.25144 10.4876 4.05415 7.04693 7.55572 9.09711 15.6454 12.4835 numMergedOcc 0
25 mol 85 unq 12 iso 0 dist 8.60062 16.5181 8.25144 10.4876 4.05415 7.04693 4.8069 7.04244 13.6534 7.00044 numMergedOcc 0
26 mol 85 unq 13 iso 0 dist 8.60062 16.5181 8.25144 10.4876 4.05415 7.04693 11.1042 7.07839 9.66391 8.78995 numMergedOcc 0
27 mol 85 unq 14 iso 0 dist 8.60062 16.5181 8.25144 10.4876 4.05415 7.04693 18.1303 9.63449 3.93938 8.64367 numMergedOcc 0
28 mol 85 unq 15 iso 0 dist 8.60062 16.5181 8.25144 10.4876 4.05415 7.04693 10.9585 7.91193 11.6517 10.7591 numMergedOcc 0
29 mol 85 unq 16 iso 0 dist 8.60062 16.5181 8.25144 18.2213 9.97944 6.7475 7.55572 9.09711 15.6454 17.9023 numMergedOcc 0
30 mol 85 unq 17 iso 0 dist 8.60062 16.5181 8.25144 18.2213 9.97944 6.7475 4.8069 7.04244 13.6534 16.1804 numMergedOcc 0
31 mol 85 unq 18 iso 0 dist 8.60062 16.5181 8.25144 18.2213 9.97944 6.7475 11.1042 7.07839 9.66391 14.2664 numMergedOcc 0
32 mol 85 unq 19 iso 0 dist 8.60062 16.5181 8.25144 18.2213 9.97944 6.7475 18.1303 9.63449 3.93938 3.21259 numMergedOcc 0
33 mol 85 unq 20 iso 0 dist 8.60062 16.5181 8.25144 18.2213 9.97944 6.7475 10.9585 7.91193 11.6517 15.1209 numMergedOcc 0
34 mol 85 unq 21 iso 0 dist 5.73739 11.9312 9.13593 9.36582 4.29937 10.797 10.0178 6.67137 13.6534 3.65186 numMergedOcc 0
35 mol 85 unq 22 iso 0 dist 5.73739 11.9312 9.13593 9.36582 4.29937 10.797 12.1664 9.78707 3.93938 12.2971 numMergedOcc 0
36 mol 85 unq 23 iso 0 dist 5.73739 11.9312 9.13593 8.8983 3.65628 7.04693 10.0178 6.67137 13.6534 7.00044 numMergedOcc 0
37 mol 85 unq 24 iso 0 dist 5.73739 11.9312 9.13593 8.8983 3.65628 7.04693 12.1664 9.78707 3.93938 8.64367 numMergedOcc 0
38 mol 85 unq 25 iso 0 dist 5.73739 11.9312 9.13593 11.1809 9.77774 6.7475 10.0178 6.67137 13.6534 16.1804 numMergedOcc 0
39 mol 85 unq 26 iso 0 dist 5.73739 11.9312 9.13593 11.1809 9.77774 6.7475 12.1664 9.78707 3.93938 3.21259 numMergedOcc 0
40 mol 85 unq 27 iso 0 dist 5.16225 11.9312 8.25144 9.36582 5.37869 10.797 8.41797 9.09711 15.6454 11.8779 numMergedOcc 0
41 mol 85 unq 28 iso 0 dist 5.16225 11.9312 8.25144 9.36582 5.37869 10.797 10.0178 7.04244 13.6534 3.65186 numMergedOcc 0
42 mol 85 unq 29 iso 0 dist 5.16225 11.9312 8.25144 9.36582 5.37869 10.797 10.0529 7.07839 9.66391 10.0372 numMergedOcc 0
43 mol 85 unq 30 iso 0 dist 5.16225 11.9312 8.25144 9.36582 5.37869 10.797 12.1664 9.63449 3.93938 12.2971 numMergedOcc 0
44 mol 85 unq 31 iso 0 dist 5.16225 11.9312 8.25144 9.36582 5.37869 10.797 9.0874 7.91193 11.6517 11.7094 numMergedOcc 0
45 mol 85 unq 32 iso 0 dist 5.16225 11.9312 8.25144 8.8983 4.05415 7.04693 8.41797 9.09711 15.6454 12.4835 numMergedOcc 0
46 mol 85 unq 33 iso 0 dist 5.16225 11.9312 8.25144 8.8983 4.05415 7.04693 10.0178 7.04244 13.6534 7.00044 numMergedOcc 0
47 mol 85 unq 34 iso 0 dist 5.16225 11.9312 8.25144 8.8983 4.05415 7.04693 10.0529 7.07839 9.66391 8.78995 numMergedOcc 0
48 mol 85 unq 35 iso 0 dist 5.16225 11.9312 8.25144 8.8983 4.05415 7.04693 12.1664 9.63449 3.93938 8.64367 numMergedOcc 0
49 mol 85 unq 36 iso 0 dist 5.16225 11.9312 8.25144 8.8983 4.05415 7.04693 9.0874 7.91193 11.6517 10.7591 numMergedOcc 0
50 mol 85 unq 37 iso 0 dist 5.16225 11.9312 8.25144 11.1809 9.97944 6.7475 8.41797 9.09711 15.6454 17.9023 numMergedOcc 0
51 mol 85 unq 38 iso 0 dist 5.16225 11.9312 8.25144 11.1809 9.97944 6.7475 10.0178 7.04244 13.6534 16.1804 numMergedOcc 0
52 mol 85 unq 39 iso 0 dist 5.16225 11.9312 8.25144 11.1809 9.97944 6.7475 10.0529 7.07839 9.66391 14.2664 numMergedOcc 0
53 mol 85 unq 40 iso 0 dist 5.16225 11.9312 8.25144 11.1809 9.97944 6.7475 12.1664 9.63449 3.93938 3.21259 numMergedOcc 0
54 mol 85 unq 41 iso 0 dist 5.16225 11.9312 8.25144 11.1809 9.97944 6.7475 9.0874 7.91193 11.6517 15.1209 numMergedOcc 0
55 mol 101 unq 0 iso 0 dist 7.33426 4.93063 9.44645 9.92742 9.33112 14.6961 9.71802 8.19144 13.0976 7.5541 numMergedOcc 0
56 mol 101 unq 1 iso 0 dist 8.17175 14.9783 9.44645 3.73374 9.33112 14.6961 4.97717 8.19144 13.0976 7.5541 numMergedOcc 0
57 mol 131 unq 0 iso 0 dist 7.34765 8.25083 8.47526 9.35007 8.49847 6.11089 3.82317 7.53342 4.60864 6.95147 numMergedOcc 0
58 mol 169 unq 0 iso 0 dist 6.27378 4.8154 9.84538 7.58935 8.6961 8.86736 10.1931 5.10589 14.1141 9.60496 numMergedOcc 0
59 mol 169 unq 1 iso 0 dist 6.27378 4.8154 9.84538 7.58935 8.6961 8.86736 10.5136 4.63336 13.1539 10.5251 numMergedOcc 0
60 mol 169 unq 2 iso 0 dist 6.27378 4.8154 9.84538 7.58935 8.6961 8.86736 10.212 6.10715 11.6489 8.67112 numMergedOcc 0
61 mol 254 unq 0 iso 0 dist 9.83135 5.80462 9.31434 7.03003 5.6417 3.91259 9.22906 7.85841 11.0708 8.8967 numMergedOcc 0
62 mol 254 unq 1 iso 0 dist 9.83135 5.80462 9.31434 7.03003 5.6417 3.91259 12.319 9.20109 13.4911 10.929 numMergedOcc 0
63 mol 254 unq 2 iso 0 dist 9.83135 5.80462 9.31434 9.54026 7.42831 5.53173 9.22906 7.85841 11.0708 9.42679 numMergedOcc 0
64 mol 254 unq 3 iso 0 dist 9.83135 5.80462 9.31434 9.54026 7.42831 5.53173 12.319 9.20109 13.4911 10.706 numMergedOcc 0
65 mol 256 unq 0 iso 0 dist 9.49634 9.83915 4.36333 9.16183 7.32564 4.10994 5.16057 5.58222 5.59732 4.96861 numMergedOcc 0
66 mol 256 unq 1 iso 0 dist 9.49634 8.66329 6.96483 9.16183 7.32564 3.90666 5.16057 5.58222 3.96807 4.96861 numMergedOcc 0
67 mol 287 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.06236 4.93516 5.97664 5.13698 4.68668 5.39801 3.66473 numMergedOcc 0
68 mol 288 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.06236 4.93516 5.97664 5.13698 4.68668 5.39801 3.66473 numMergedOcc 0
69 mol 289 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.06236 4.93516 5.97664 5.13698 4.68668 5.39801 3.66473 numMergedOcc 0
