0 mol 16 unq 0 iso 0 dist 6.42835 6.57331 6.09368 5.30082 5.94982 10.0132 11.0958 6.86055 12.9201 6.72833 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.42835 6.57331 6.09368 5.30082 5.94982 10.0132 5.05803 5.01101 4.65873 6.93532 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.68215 6.6219 10.512 4.50066 6.19899 10.1229 11.0194 8.91183 17.5858 9.01567 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.68215 6.6219 10.512 5.11617 6.61696 11.3231 5.54419 10.1698 4.82629 8.4051 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.68215 6.6219 10.512 5.11617 6.61696 11.3231 11.0194 8.91183 17.5858 7.29868 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 5.68215 6.6219 10.512 5.11617 6.61696 11.3231 13.2433 14.8647 18.6847 8.60554 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.87744 7.27472 3.73215 6.38336 4.5711 4.44526 7.36323 6.28159 5.50396 8.23446 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 7.27472 8.87744 3.73215 6.38336 4.44526 4.5711 7.36323 5.50396 6.28159 8.23446 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 7.27472 8.87744 3.73215 6.7828 9.586 12.6707 7.36323 5.50396 6.28159 8.75662 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 7.27472 8.87744 3.73215 6.7828 9.586 12.6707 15.5296 14.4081 17.9455 9.44691 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 6.55597 7.52933 6.53015 5.77929 9.16515 12.7995 5.04899 4.69295 5.03027 8.87757 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 6.55597 7.52933 6.53015 5.77929 9.16515 12.7995 12.7009 13.2447 18.6183 8.50222 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 6.55597 7.52933 6.53015 5.77929 9.16515 12.7995 12.8117 14.9982 19.7151 7.55264 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 6.55597 9.71956 9.19736 5.77929 9.16515 11.5214 5.04899 4.69295 12.2542 8.87757 numMergedOcc 0
14 mol 25 unq 4 iso 0 dist 6.55597 9.71956 9.19736 5.77929 9.16515 11.5214 12.7009 13.2447 11.3512 8.50222 numMergedOcc 0
15 mol 25 unq 5 iso 0 dist 6.55597 9.71956 9.19736 5.77929 9.16515 11.5214 12.8117 14.9982 14.0853 7.55264 numMergedOcc 0
16 mol 25 unq 6 iso 0 dist 6.55597 7.07751 5.78812 5.77929 9.16515 9.82987 5.04899 4.69295 8.79309 8.87757 numMergedOcc 0
17 mol 25 unq 7 iso 0 dist 6.55597 7.07751 5.78812 5.77929 9.16515 9.82987 12.7009 13.2447 11.8139 8.50222 numMergedOcc 0
18 mol 25 unq 8 iso 0 dist 6.55597 7.07751 5.78812 5.77929 9.16515 9.82987 12.8117 14.9982 14.1251 7.55264 numMergedOcc 0
19 mol 25 unq 9 iso 0 dist 6.55597 8.23761 7.36721 5.77929 9.16515 13.3492 5.04899 4.69295 8.17061 8.87757 numMergedOcc 0
20 mol 25 unq 10 iso 0 dist 6.55597 8.23761 7.36721 5.77929 9.16515 13.3492 12.7009 13.2447 17.5134 8.50222 numMergedOcc 0
21 mol 25 unq 11 iso 0 dist 6.55597 8.23761 7.36721 5.77929 9.16515 13.3492 12.8117 14.9982 19.2117 7.55264 numMergedOcc 0
22 mol 25 unq 12 iso 0 dist 6.55597 9.49421 12.1732 5.77929 9.16515 6.53269 5.04899 4.69295 13.6145 8.87757 numMergedOcc 0
23 mol 25 unq 13 iso 0 dist 6.55597 9.49421 12.1732 5.77929 9.16515 6.53269 12.7009 13.2447 5.18617 8.50222 numMergedOcc 0
24 mol 25 unq 14 iso 0 dist 6.55597 9.49421 12.1732 5.77929 9.16515 6.53269 12.8117 14.9982 5.68041 7.55264 numMergedOcc 0
25 mol 25 unq 15 iso 0 dist 7.07751 7.52933 8.64476 5.77929 9.82987 12.7995 5.04899 8.79309 5.03027 8.87757 numMergedOcc 0
26 mol 25 unq 16 iso 0 dist 7.07751 7.52933 8.64476 5.77929 9.82987 12.7995 12.7009 11.8139 18.6183 8.50222 numMergedOcc 0
27 mol 25 unq 17 iso 0 dist 7.07751 7.52933 8.64476 5.77929 9.82987 12.7995 12.8117 14.1251 19.7151 7.55264 numMergedOcc 0
28 mol 25 unq 18 iso 0 dist 7.07751 6.55597 5.78812 5.77929 9.82987 9.16515 5.04899 8.79309 4.69295 8.87757 numMergedOcc 0
29 mol 25 unq 19 iso 0 dist 7.07751 6.55597 5.78812 5.77929 9.82987 9.16515 12.7009 11.8139 13.2447 8.50222 numMergedOcc 0
30 mol 25 unq 20 iso 0 dist 7.07751 6.55597 5.78812 5.77929 9.82987 9.16515 12.8117 14.1251 14.9982 7.55264 numMergedOcc 0
31 mol 25 unq 21 iso 0 dist 7.07751 9.71956 3.56099 5.77929 9.82987 11.5214 5.04899 8.79309 12.2542 8.87757 numMergedOcc 0
32 mol 25 unq 22 iso 0 dist 7.07751 9.71956 3.56099 5.77929 9.82987 11.5214 12.7009 11.8139 11.3512 8.50222 numMergedOcc 0
33 mol 25 unq 23 iso 0 dist 7.07751 9.71956 3.56099 5.77929 9.82987 11.5214 12.8117 14.1251 14.0853 7.55264 numMergedOcc 0
34 mol 25 unq 24 iso 0 dist 7.07751 8.23761 5.99526 5.77929 9.82987 13.3492 5.04899 8.79309 8.17061 8.87757 numMergedOcc 0
35 mol 25 unq 25 iso 0 dist 7.07751 8.23761 5.99526 5.77929 9.82987 13.3492 12.7009 11.8139 17.5134 8.50222 numMergedOcc 0
36 mol 25 unq 26 iso 0 dist 7.07751 8.23761 5.99526 5.77929 9.82987 13.3492 12.8117 14.1251 19.2117 7.55264 numMergedOcc 0
37 mol 25 unq 27 iso 0 dist 7.07751 9.49421 9.54872 5.77929 9.82987 6.53269 5.04899 8.79309 13.6145 8.87757 numMergedOcc 0
38 mol 25 unq 28 iso 0 dist 7.07751 9.49421 9.54872 5.77929 9.82987 6.53269 12.7009 11.8139 5.18617 8.50222 numMergedOcc 0
39 mol 25 unq 29 iso 0 dist 7.07751 9.49421 9.54872 5.77929 9.82987 6.53269 12.8117 14.1251 5.68041 7.55264 numMergedOcc 0
40 mol 25 unq 30 iso 0 dist 9.48085 4.79873 12.7147 6.08585 6.53269 9.35791 11.9561 13.6145 11.6045 8.87757 numMergedOcc 0
41 mol 25 unq 31 iso 0 dist 9.48085 4.79873 12.7147 6.08585 6.53269 9.35791 7.57578 5.18617 10.2864 8.50222 numMergedOcc 0
42 mol 25 unq 32 iso 0 dist 9.48085 4.79873 12.7147 6.08585 6.53269 9.35791 7.17969 5.68041 11.4148 7.55264 numMergedOcc 0
43 mol 25 unq 33 iso 0 dist 9.49421 7.52933 16.0628 5.77929 6.53269 12.7995 5.04899 13.6145 5.03027 8.87757 numMergedOcc 0
44 mol 25 unq 34 iso 0 dist 9.49421 7.52933 16.0628 5.77929 6.53269 12.7995 12.7009 5.18617 18.6183 8.50222 numMergedOcc 0
45 mol 25 unq 35 iso 0 dist 9.49421 7.52933 16.0628 5.77929 6.53269 12.7995 12.8117 5.68041 19.7151 7.55264 numMergedOcc 0
46 mol 25 unq 36 iso 0 dist 9.49421 6.55597 12.1732 5.77929 6.53269 9.16515 5.04899 13.6145 4.69295 8.87757 numMergedOcc 0
47 mol 25 unq 37 iso 0 dist 9.49421 6.55597 12.1732 5.77929 6.53269 9.16515 12.7009 5.18617 13.2447 8.50222 numMergedOcc 0
48 mol 25 unq 38 iso 0 dist 9.49421 6.55597 12.1732 5.77929 6.53269 9.16515 12.8117 5.68041 14.9982 7.55264 numMergedOcc 0
49 mol 25 unq 39 iso 0 dist 9.49421 9.71956 8.99147 5.77929 6.53269 11.5214 5.04899 13.6145 12.2542 8.87757 numMergedOcc 0
50 mol 25 unq 40 iso 0 dist 9.49421 9.71956 8.99147 5.77929 6.53269 11.5214 12.7009 5.18617 11.3512 8.50222 numMergedOcc 0
51 mol 25 unq 41 iso 0 dist 9.49421 9.71956 8.99147 5.77929 6.53269 11.5214 12.8117 5.68041 14.0853 7.55264 numMergedOcc 0
52 mol 25 unq 42 iso 0 dist 9.49421 7.07751 9.54872 5.77929 6.53269 9.82987 5.04899 13.6145 8.79309 8.87757 numMergedOcc 0
53 mol 25 unq 43 iso 0 dist 9.49421 7.07751 9.54872 5.77929 6.53269 9.82987 12.7009 5.18617 11.8139 8.50222 numMergedOcc 0
54 mol 25 unq 44 iso 0 dist 9.49421 7.07751 9.54872 5.77929 6.53269 9.82987 12.8117 5.68041 14.1251 7.55264 numMergedOcc 0
55 mol 25 unq 45 iso 0 dist 9.49421 8.23761 14.6175 5.77929 6.53269 13.3492 5.04899 13.6145 8.17061 8.87757 numMergedOcc 0
56 mol 25 unq 46 iso 0 dist 9.49421 8.23761 14.6175 5.77929 6.53269 13.3492 12.7009 5.18617 17.5134 8.50222 numMergedOcc 0
57 mol 25 unq 47 iso 0 dist 9.49421 8.23761 14.6175 5.77929 6.53269 13.3492 12.8117 5.68041 19.2117 7.55264 numMergedOcc 0
58 mol 58 unq 0 iso 0 dist 8.96727 8.01308 6.20884 5.49591 9.01564 7.11065 6.35756 9.87158 5.86526 8.80614 numMergedOcc 0
59 mol 58 unq 1 iso 0 dist 8.01308 8.96727 6.20884 5.49591 7.11065 9.01564 6.35756 5.86526 9.87158 8.80614 numMergedOcc 0
60 mol 72 unq 0 iso 0 dist 9.55118 9.10345 9.20237 11.6378 7.58875 14.0067 9.96708 5.69391 13.4212 9.27838 numMergedOcc 0
61 mol 73 unq 0 iso 0 dist 8.68662 7.4369 3.30399 6.56633 8.96616 6.14542 6.19304 6.20232 5.70116 9.24757 numMergedOcc 0
62 mol 73 unq 1 iso 0 dist 7.4369 8.68662 3.30399 6.56633 6.14542 8.96616 6.19304 5.70116 6.20232 9.24757 numMergedOcc 0
63 mol 98 unq 0 iso 0 dist 5.92242 7.02507 9.6331 7.42446 4.62494 9.84743 6.48948 3.9764 7.03983 6.65501 numMergedOcc 0
64 mol 98 unq 1 iso 0 dist 7.54889 5.2571 6.70343 9.67482 8.46823 4.62494 6.10456 10.4782 3.9764 6.65501 numMergedOcc 0
65 mol 98 unq 2 iso 0 dist 5.2571 7.54889 6.70343 9.67482 4.62494 8.46823 6.10456 3.9764 10.4782 6.65501 numMergedOcc 0
66 mol 98 unq 3 iso 0 dist 7.78931 8.7497 6.70343 12.0974 8.46823 4.62494 10.1136 10.4782 3.9764 6.65501 numMergedOcc 0
67 mol 98 unq 4 iso 0 dist 8.7497 7.78931 6.70343 12.0974 4.62494 8.46823 10.1136 3.9764 10.4782 6.65501 numMergedOcc 0
68 mol 100 unq 0 iso 0 dist 9.21662 9.90751 6.25463 5.42531 6.59691 10.3057 10.1489 4.03277 9.81953 7.01812 numMergedOcc 0
69 mol 100 unq 1 iso 0 dist 9.21662 9.90751 6.25463 5.42531 6.59691 10.3057 13.2001 6.23008 12.0341 8.30845 numMergedOcc 0
70 mol 129 unq 0 iso 0 dist 5.51197 6.69691 5.94312 4.92472 6.34626 10.0995 10.1333 6.28232 10.6599 7.58957 numMergedOcc 0
71 mol 129 unq 1 iso 0 dist 5.51197 8.86944 9.74141 4.92472 6.34626 11.4468 10.1333 6.28232 12.3705 7.58957 numMergedOcc 0
72 mol 134 unq 0 iso 0 dist 7.93372 9.33924 11.4107 5.29786 9.0176 12.2587 9.5126 12.847 9.45357 7.69991 numMergedOcc 0
73 mol 134 unq 1 iso 0 dist 7.93372 9.33924 11.4107 5.29786 9.0176 12.2587 6.37586 8.06642 6.95573 6.23142 numMergedOcc 0
74 mol 134 unq 2 iso 0 dist 7.93372 9.33924 11.4107 5.29786 9.0176 12.2587 9.71307 4.00092 10.2026 9.94764 numMergedOcc 0
75 mol 181 unq 0 iso 0 dist 6.64173 9.01624 11.196 5.63555 8.12266 10.5303 7.63312 10.6474 5.93724 5.9176 numMergedOcc 0
76 mol 181 unq 1 iso 0 dist 6.64173 9.55105 10.1041 5.63555 8.12266 9.43306 7.63312 10.6474 5.12833 5.9176 numMergedOcc 0
77 mol 181 unq 2 iso 0 dist 9.01624 6.64173 11.196 7.20191 5.99437 12.6232 7.81386 5.71898 6.8757 9.39829 numMergedOcc 0
78 mol 181 unq 3 iso 0 dist 9.01624 6.64173 11.196 7.20191 5.99437 12.6232 7.63312 5.93724 10.6474 6.41453 numMergedOcc 0
79 mol 181 unq 4 iso 0 dist 9.01624 9.55105 3.55187 7.20191 5.99437 8.4848 7.81386 5.71898 5.83796 9.39829 numMergedOcc 0
80 mol 181 unq 5 iso 0 dist 9.01624 9.55105 3.55187 7.20191 5.99437 8.4848 7.63312 5.93724 5.12833 6.41453 numMergedOcc 0
81 mol 181 unq 6 iso 0 dist 9.55105 6.64173 10.1041 5.63555 9.43306 8.12266 7.63312 5.12833 10.6474 5.9176 numMergedOcc 0
82 mol 181 unq 7 iso 0 dist 9.55105 6.64173 10.1041 7.20191 8.4848 12.6232 7.81386 5.83796 6.8757 9.39829 numMergedOcc 0
83 mol 181 unq 8 iso 0 dist 9.55105 6.64173 10.1041 7.20191 8.4848 12.6232 7.63312 5.12833 10.6474 6.41453 numMergedOcc 0
84 mol 181 unq 9 iso 0 dist 9.55105 9.01624 3.55187 5.63555 9.43306 10.5303 7.63312 5.12833 5.93724 5.9176 numMergedOcc 0
85 mol 181 unq 10 iso 0 dist 9.55105 9.01624 3.55187 7.20191 8.4848 5.99437 7.81386 5.83796 5.71898 9.39829 numMergedOcc 0
86 mol 181 unq 11 iso 0 dist 9.55105 9.01624 3.55187 7.20191 8.4848 5.99437 7.63312 5.12833 5.93724 6.41453 numMergedOcc 0
87 mol 188 unq 0 iso 0 dist 7.88013 9.90062 3.68927 8.77113 8.66624 11.5018 13.353 9.71636 12.8489 7.14503 numMergedOcc 0
88 mol 222 unq 0 iso 0 dist 5.56538 7.48954 3.58181 7.75656 8.43195 8.23406 7.21333 6.84862 9.53117 7.67576 numMergedOcc 0
89 mol 222 unq 1 iso 0 dist 7.48954 5.56538 3.58181 7.75656 8.23406 8.43195 7.21333 9.53117 6.84862 7.67576 numMergedOcc 0
90 mol 274 unq 0 iso 0 dist 9.30212 6.4611 13.5848 9.5468 7.77765 9.65868 12.3938 5.22914 14.7507 7.46394 numMergedOcc 0
91 mol 274 unq 1 iso 0 dist 9.30212 6.4611 13.5848 9.5468 7.77765 9.65868 10.7806 12.393 8.87855 9.45514 numMergedOcc 0
92 mol 274 unq 2 iso 0 dist 9.30212 6.4611 13.5848 9.5468 7.77765 9.65868 16.3286 16.5034 12.5615 8.91672 numMergedOcc 0
93 mol 274 unq 3 iso 0 dist 9.30212 6.4611 13.5848 9.5468 7.77765 9.65868 13.5896 10.2884 13.0867 7.1729 numMergedOcc 0
94 mol 274 unq 4 iso 0 dist 6.4611 9.30212 13.5848 9.5468 9.65868 7.77765 12.3938 14.7507 5.22914 7.46394 numMergedOcc 0
95 mol 274 unq 5 iso 0 dist 6.4611 9.30212 13.5848 9.5468 9.65868 7.77765 10.7806 8.87855 12.393 9.45514 numMergedOcc 0
96 mol 274 unq 6 iso 0 dist 6.4611 9.30212 13.5848 9.5468 9.65868 7.77765 16.3286 12.5615 16.5034 8.91672 numMergedOcc 0
97 mol 274 unq 7 iso 0 dist 6.4611 9.30212 13.5848 9.5468 9.65868 7.77765 13.5896 13.0867 10.2884 7.1729 numMergedOcc 0
98 mol 274 unq 8 iso 0 dist 6.4611 9.30212 13.5848 6.70925 8.60027 10.0206 13.9359 16.9539 11.4471 8.52587 numMergedOcc 0
99 mol 274 unq 9 iso 0 dist 6.4611 9.30212 13.5848 6.70925 8.60027 10.0206 10.7806 8.87855 12.393 6.39866 numMergedOcc 0
