0 mol 16 unq 0 iso 0 dist 5.05803 6.93532 5.30082 4.65873 6.57331 10.0132 5.01101 6.42835 5.94982 6.09368 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.31718 6.93532 10.4366 4.65873 8.43054 10.0132 5.01101 11.0298 5.94982 6.09368 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 5.69214 7.95042 10.8068 8.91183 12.5088 6.19899 10.7501 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 5.69214 7.95042 10.8068 13.0212 15.4457 8.49709 16.8331 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 5.69214 7.95042 5.80953 8.91183 12.5088 6.61696 10.7501 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 5.11636 7.95042 5.80953 14.8647 12.5088 6.61696 10.7501 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.86116 8.44664 10.971 5.11636 7.95042 12.8213 4.79736 12.3058 9.98592 8.32593 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.86116 9.44691 13.4893 5.11636 7.95042 11.7489 14.4081 17.9275 9.586 13.4516 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 8.86116 9.41441 14.012 11.6226 8.09311 19.932 9.88364 18.188 9.85784 21.0175 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 11.6226 8.09311 19.932 9.78753 18.4146 9.87996 20.7999 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 8.86116 9.41441 14.012 13.1949 9.05357 17.7407 9.88364 18.188 9.85784 22.4999 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 8.86116 9.41441 14.012 13.1949 9.05357 17.7407 9.78753 18.4146 9.87996 21.1787 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 5.54419 8.4051 5.11617 4.82629 6.6219 11.3231 10.1698 5.68215 6.61696 10.512 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 5.54419 8.4051 5.11617 4.82629 6.6219 11.3231 13.6174 10.9113 5.80953 17.051 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 5.54419 8.4051 5.11617 10.1698 5.68215 6.61696 13.6174 10.9113 5.80953 10.7501 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 5.54419 8.23446 13.1779 4.82629 6.6219 11.3777 5.73029 9.16003 9.33304 3.4786 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 5.54419 8.23446 13.1779 4.82629 6.6219 11.3777 6.28159 10.4135 4.5711 8.28473 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 5.54419 8.23446 13.1779 4.82629 6.6219 11.3777 5.50396 9.33482 4.44526 9.39954 numMergedOcc 0
18 mol 24 unq 16 iso 0 dist 5.54419 8.23446 13.1779 10.1698 5.68215 16.1924 5.73029 9.16003 9.33304 12.3384 numMergedOcc 0
19 mol 24 unq 17 iso 0 dist 5.54419 8.23446 13.1779 10.1698 5.68215 16.1924 6.28159 10.4135 4.5711 12.6686 numMergedOcc 0
20 mol 24 unq 18 iso 0 dist 5.54419 8.23446 13.1779 10.1698 5.68215 16.1924 5.50396 9.33482 4.44526 11.9756 numMergedOcc 0
21 mol 24 unq 19 iso 0 dist 5.54419 8.75662 10.8238 4.82629 6.6219 13.0711 5.50396 9.33482 9.586 9.39954 numMergedOcc 0
22 mol 24 unq 20 iso 0 dist 5.54419 8.75662 10.8238 10.1698 5.68215 15.3807 5.50396 9.33482 9.586 11.9756 numMergedOcc 0
23 mol 24 unq 21 iso 0 dist 7.36323 8.4051 13.2229 6.28159 8.87744 12.3034 10.1698 17.003 6.61696 12.6686 numMergedOcc 0
24 mol 24 unq 22 iso 0 dist 7.36323 8.4051 13.2229 6.28159 8.87744 12.3034 13.6174 16.707 5.80953 16.5268 numMergedOcc 0
25 mol 24 unq 23 iso 0 dist 7.36323 8.4051 13.2229 5.50396 7.27472 9.84204 10.1698 17.003 6.61696 11.9756 numMergedOcc 0
26 mol 24 unq 24 iso 0 dist 7.36323 8.4051 13.2229 5.50396 7.27472 9.84204 13.6174 16.707 5.80953 13.4516 numMergedOcc 0
27 mol 24 unq 25 iso 0 dist 7.36323 8.23446 6.38336 6.28159 8.87744 4.5711 5.73029 10.502 9.33304 6.08292 numMergedOcc 0
28 mol 24 unq 26 iso 0 dist 7.36323 8.23446 6.38336 6.28159 8.87744 4.5711 5.50396 7.27472 4.44526 3.73215 numMergedOcc 0
29 mol 24 unq 27 iso 0 dist 7.36323 8.23446 6.38336 5.50396 7.27472 4.44526 5.73029 10.502 9.33304 8.40153 numMergedOcc 0
30 mol 24 unq 28 iso 0 dist 7.36323 8.23446 6.38336 5.50396 7.27472 4.44526 6.28159 8.87744 4.5711 3.73215 numMergedOcc 0
31 mol 24 unq 29 iso 0 dist 7.36323 8.75662 6.7828 6.28159 8.87744 12.6707 5.50396 7.27472 9.586 3.73215 numMergedOcc 0
32 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 4.69295 6.55597 9.16515 6.53015 numMergedOcc 0
33 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 8.79309 7.07751 9.82987 8.64476 numMergedOcc 0
34 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 14.9206 11.008 9.40732 16.4731 numMergedOcc 0
35 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 13.6145 9.49421 6.53269 16.0628 numMergedOcc 0
36 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 8.79309 7.07751 9.82987 5.78812 numMergedOcc 0
37 mol 25 unq 5 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 14.9206 11.008 9.40732 12.6527 numMergedOcc 0
38 mol 25 unq 6 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 13.6145 9.49421 6.53269 12.1732 numMergedOcc 0
39 mol 25 unq 7 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 4.69295 6.55597 9.16515 9.19736 numMergedOcc 0
40 mol 25 unq 8 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 8.79309 7.07751 9.82987 3.56099 numMergedOcc 0
41 mol 25 unq 9 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 14.9206 11.008 9.40732 6.90542 numMergedOcc 0
42 mol 25 unq 10 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 13.6145 9.49421 6.53269 8.99147 numMergedOcc 0
43 mol 25 unq 11 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 4.69295 6.55597 9.16515 5.78812 numMergedOcc 0
44 mol 25 unq 12 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 14.9206 11.008 9.40732 8.68941 numMergedOcc 0
45 mol 25 unq 13 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 13.6145 9.49421 6.53269 9.54872 numMergedOcc 0
46 mol 25 unq 14 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 4.69295 6.55597 9.16515 7.36721 numMergedOcc 0
47 mol 25 unq 15 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 8.79309 7.07751 9.82987 5.99526 numMergedOcc 0
48 mol 25 unq 16 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 14.9206 11.008 9.40732 14.1077 numMergedOcc 0
49 mol 25 unq 17 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 13.6145 9.49421 6.53269 14.6175 numMergedOcc 0
50 mol 25 unq 18 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 4.69295 6.55597 9.16515 12.1732 numMergedOcc 0
51 mol 25 unq 19 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 8.79309 7.07751 9.82987 9.54872 numMergedOcc 0
52 mol 25 unq 20 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 14.9206 11.008 9.40732 3.49276 numMergedOcc 0
53 mol 25 unq 21 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 13.2447 11.037 9.16515 9.7883 numMergedOcc 0
54 mol 25 unq 22 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 11.8139 13.0315 9.82987 13.1326 numMergedOcc 0
55 mol 25 unq 23 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 6.28979 11.971 9.40732 14.3484 numMergedOcc 0
56 mol 25 unq 24 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 5.18617 9.48085 6.53269 12.7147 numMergedOcc 0
57 mol 25 unq 25 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 13.2447 11.037 9.16515 12.1732 numMergedOcc 0
58 mol 25 unq 26 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 11.8139 13.0315 9.82987 9.54872 numMergedOcc 0
59 mol 25 unq 27 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 6.28979 11.971 9.40732 3.49276 numMergedOcc 0
60 mol 25 unq 28 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 14.9982 11.037 9.16515 9.7883 numMergedOcc 0
61 mol 25 unq 29 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 14.1251 13.0315 9.82987 13.1326 numMergedOcc 0
62 mol 25 unq 30 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 8.41421 11.971 9.40732 14.3484 numMergedOcc 0
63 mol 25 unq 31 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 5.68041 9.48085 6.53269 12.7147 numMergedOcc 0
64 mol 25 unq 32 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 14.9982 11.037 9.16515 12.1732 numMergedOcc 0
65 mol 25 unq 33 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 14.1251 13.0315 9.82987 9.54872 numMergedOcc 0
66 mol 25 unq 34 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 8.41421 11.971 9.40732 3.49276 numMergedOcc 0
67 mol 58 unq 0 iso 0 dist 6.62496 8.80614 9.95364 9.87158 9.22598 9.01564 11.3019 13.813 7.58739 7.13086 numMergedOcc 0
68 mol 58 unq 1 iso 0 dist 6.62496 8.80614 9.95364 9.87158 9.22598 9.01564 5.86526 9.55996 7.11065 6.20884 numMergedOcc 0
69 mol 58 unq 2 iso 0 dist 6.35756 8.80614 5.49591 9.87158 8.96727 9.01564 11.3019 11.2189 7.58739 7.13086 numMergedOcc 0
70 mol 58 unq 3 iso 0 dist 6.35756 8.80614 5.49591 9.87158 8.96727 9.01564 5.86526 8.01308 7.11065 6.20884 numMergedOcc 0
71 mol 58 unq 4 iso 0 dist 6.35756 8.80614 5.49591 5.86526 8.01308 7.11065 11.3019 11.2189 7.58739 5.68445 numMergedOcc 0
72 mol 58 unq 5 iso 0 dist 6.35756 8.80614 5.49591 5.86526 8.01308 7.11065 9.87158 8.96727 9.01564 6.20884 numMergedOcc 0
73 mol 72 unq 0 iso 0 dist 9.96708 9.27838 11.6378 5.69391 9.55118 7.58875 5.57624 13.641 9.52749 4.86472 numMergedOcc 0
74 mol 72 unq 1 iso 0 dist 9.96708 9.27838 11.6378 5.69391 9.55118 7.58875 4.03844 12.111 6.91169 4.85556 numMergedOcc 0
75 mol 72 unq 2 iso 0 dist 9.96708 9.27838 11.6378 13.4212 9.10345 14.0067 5.69391 9.55118 7.58875 9.20237 numMergedOcc 0
76 mol 72 unq 3 iso 0 dist 9.96708 9.27838 11.6378 13.4212 9.10345 14.0067 5.57624 13.641 9.52749 13.5666 numMergedOcc 0
77 mol 72 unq 4 iso 0 dist 9.96708 9.27838 11.6378 13.4212 9.10345 14.0067 4.03844 12.111 6.91169 13.9899 numMergedOcc 0
78 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 5.70116 9.73086 6.14542 6.20232 12.2276 8.96616 3.30399 numMergedOcc 0
79 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 6.20232 8.68662 8.96616 5.70116 7.4369 6.14542 3.30399 numMergedOcc 0
80 mol 73 unq 2 iso 0 dist 6.19304 9.24757 6.56633 5.70116 7.4369 6.14542 6.20232 8.68662 8.96616 3.30399 numMergedOcc 0
81 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 11.2069 5.5087 14.6027 6.20232 13.8931 8.96616 16.3057 numMergedOcc 0
82 mol 73 unq 4 iso 0 dist 8.70481 9.24757 15.3808 11.2069 5.5087 14.6027 5.70116 12.8207 6.14542 14.2015 numMergedOcc 0
83 mol 73 unq 5 iso 0 dist 8.70481 9.24757 15.3808 10.6713 6.08682 13.8591 6.20232 13.8931 8.96616 14.162 numMergedOcc 0
84 mol 73 unq 6 iso 0 dist 8.70481 9.24757 15.3808 10.6713 6.08682 13.8591 5.70116 12.8207 6.14542 12.1341 numMergedOcc 0
85 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.4782 9.81956 8.46823 6.70343 numMergedOcc 0
86 mol 98 unq 1 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.4782 10.8223 8.46823 6.70343 numMergedOcc 0
87 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 7.03983 7.02507 9.84743 10.4782 10.8223 8.46823 16.1571 numMergedOcc 0
88 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 7.03983 7.02507 9.84743 3.9764 5.92242 4.62494 9.6331 numMergedOcc 0
89 mol 98 unq 4 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 3.9764 5.2571 4.62494 6.70343 numMergedOcc 0
90 mol 98 unq 5 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 10.4782 7.54889 8.46823 6.70343 numMergedOcc 0
91 mol 100 unq 0 iso 0 dist 7.47343 8.30845 12.2861 5.9143 7.82475 13.9449 6.23008 9.76432 6.59691 9.68983 numMergedOcc 0
92 mol 100 unq 1 iso 0 dist 7.47343 8.30845 12.2861 5.47563 5.35782 13.2383 6.23008 9.76432 6.59691 10.2797 numMergedOcc 0
93 mol 129 unq 0 iso 0 dist 5.83384 7.58957 10.5488 9.00231 5.58833 15.5412 6.28232 11.7541 6.34626 14.9816 numMergedOcc 0
94 mol 134 unq 0 iso 0 dist 6.37586 6.23142 5.29786 6.95573 9.33924 12.2587 8.06642 7.93372 9.0176 11.4107 numMergedOcc 0
95 mol 134 unq 1 iso 0 dist 9.71307 9.94764 5.29786 10.2026 9.33924 12.2587 4.00092 7.93372 9.0176 11.4107 numMergedOcc 0
96 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 6.50233 9.76212 7.35884 6.28125 10.0802 9.06571 3.56877 numMergedOcc 0
97 mol 181 unq 1 iso 0 dist 8.03334 6.59025 8.04639 6.50233 9.76212 11.6588 6.28125 10.0802 9.88897 3.56877 numMergedOcc 0
98 mol 181 unq 2 iso 0 dist 7.81386 9.39829 7.20191 6.8757 6.64173 12.6232 5.71898 9.01624 5.99437 11.196 numMergedOcc 0
99 mol 181 unq 3 iso 0 dist 7.81386 9.39829 7.20191 6.8757 6.64173 12.6232 5.83796 9.55105 8.4848 10.1041 numMergedOcc 0
100 mol 181 unq 4 iso 0 dist 7.81386 9.39829 7.20191 5.71898 9.01624 5.99437 5.83796 9.55105 8.4848 3.55187 numMergedOcc 0
101 mol 181 unq 5 iso 0 dist 7.81386 9.39829 7.20191 5.83796 9.55105 8.4848 5.71898 9.01624 5.99437 3.55187 numMergedOcc 0
102 mol 181 unq 6 iso 0 dist 7.63312 5.9176 5.63555 10.6474 6.64173 8.12266 5.12833 9.55105 9.43306 10.1041 numMergedOcc 0
103 mol 181 unq 7 iso 0 dist 7.63312 5.9176 5.63555 10.6474 6.64173 8.12266 4.61184 11.7785 8.59681 13.0097 numMergedOcc 0
104 mol 181 unq 8 iso 0 dist 7.63312 5.9176 5.63555 5.93724 9.01624 10.5303 10.6474 6.64173 8.12266 11.196 numMergedOcc 0
105 mol 181 unq 9 iso 0 dist 7.63312 5.9176 5.63555 5.93724 9.01624 10.5303 5.12833 9.55105 9.43306 3.55187 numMergedOcc 0
106 mol 181 unq 10 iso 0 dist 7.63312 5.9176 5.63555 5.93724 9.01624 10.5303 4.61184 11.7785 8.59681 8.42971 numMergedOcc 0
107 mol 181 unq 11 iso 0 dist 7.63312 5.9176 5.63555 5.12833 9.55105 9.43306 10.6474 6.64173 8.12266 10.1041 numMergedOcc 0
108 mol 181 unq 12 iso 0 dist 7.63312 5.9176 5.63555 5.12833 9.55105 9.43306 4.61184 11.7785 8.59681 6.02942 numMergedOcc 0
109 mol 181 unq 13 iso 0 dist 7.63312 6.41453 7.20191 10.6474 6.64173 12.6232 5.93724 9.01624 5.99437 11.196 numMergedOcc 0
110 mol 181 unq 14 iso 0 dist 7.63312 6.41453 7.20191 10.6474 6.64173 12.6232 5.12833 9.55105 8.4848 10.1041 numMergedOcc 0
111 mol 181 unq 15 iso 0 dist 7.63312 6.41453 7.20191 5.93724 9.01624 5.99437 5.12833 9.55105 8.4848 3.55187 numMergedOcc 0
112 mol 181 unq 16 iso 0 dist 7.63312 6.41453 7.20191 5.12833 9.55105 8.4848 5.93724 9.01624 5.99437 3.55187 numMergedOcc 0
113 mol 182 unq 0 iso 0 dist 9.31746 6.73956 7.68794 8.82964 9.56028 13.3817 4.88992 13.5224 8.62102 12.9815 numMergedOcc 0
114 mol 222 unq 0 iso 0 dist 7.21333 7.67576 7.75656 6.84862 5.56538 8.43195 9.53117 7.48954 8.23406 3.58181 numMergedOcc 0
115 mol 222 unq 1 iso 0 dist 7.21333 7.67576 7.75656 9.53117 7.48954 8.23406 6.84862 5.56538 8.43195 3.58181 numMergedOcc 0
