0 mol 16 unq 0 iso 0 dist 5.05803 6.42835 5.01101 6.57331 4.65873 6.09368 5.30082 6.93532 5.94982 10.0132 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.54419 5.68215 10.1698 6.6219 4.82629 10.512 5.11617 8.4051 6.61696 11.3231 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.36323 8.87744 6.28159 7.27472 5.50396 3.73215 6.38336 8.23446 4.5711 4.44526 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 7.36323 7.27472 5.50396 8.87744 6.28159 3.73215 6.38336 8.23446 4.44526 4.5711 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 7.36323 7.27472 5.50396 8.87744 6.28159 3.73215 6.7828 8.75662 9.586 12.6707 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.04899 6.55597 4.69295 7.52933 5.03027 6.53015 5.77929 8.87757 9.16515 12.7995 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 5.04899 6.55597 4.69295 9.71956 12.2542 9.19736 5.77929 8.87757 9.16515 11.5214 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 5.04899 6.55597 4.69295 7.07751 8.79309 5.78812 5.77929 8.87757 9.16515 9.82987 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 5.04899 6.55597 4.69295 8.23761 8.17061 7.36721 5.77929 8.87757 9.16515 13.3492 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 5.04899 6.55597 4.69295 9.49421 13.6145 12.1732 5.77929 8.87757 9.16515 6.53269 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 5.04899 7.07751 8.79309 7.52933 5.03027 8.64476 5.77929 8.87757 9.82987 12.7995 numMergedOcc 0
11 mol 25 unq 6 iso 0 dist 5.04899 7.07751 8.79309 6.55597 4.69295 5.78812 5.77929 8.87757 9.82987 9.16515 numMergedOcc 0
12 mol 25 unq 7 iso 0 dist 5.04899 7.07751 8.79309 9.71956 12.2542 3.56099 5.77929 8.87757 9.82987 11.5214 numMergedOcc 0
13 mol 25 unq 8 iso 0 dist 5.04899 7.07751 8.79309 8.23761 8.17061 5.99526 5.77929 8.87757 9.82987 13.3492 numMergedOcc 0
14 mol 25 unq 9 iso 0 dist 5.04899 7.07751 8.79309 9.49421 13.6145 9.54872 5.77929 8.87757 9.82987 6.53269 numMergedOcc 0
15 mol 25 unq 10 iso 0 dist 5.04899 9.49421 13.6145 7.52933 5.03027 16.0628 5.77929 8.87757 6.53269 12.7995 numMergedOcc 0
16 mol 25 unq 11 iso 0 dist 5.04899 9.49421 13.6145 6.55597 4.69295 12.1732 5.77929 8.87757 6.53269 9.16515 numMergedOcc 0
17 mol 25 unq 12 iso 0 dist 5.04899 9.49421 13.6145 9.71956 12.2542 8.99147 5.77929 8.87757 6.53269 11.5214 numMergedOcc 0
18 mol 25 unq 13 iso 0 dist 5.04899 9.49421 13.6145 7.07751 8.79309 9.54872 5.77929 8.87757 6.53269 9.82987 numMergedOcc 0
19 mol 25 unq 14 iso 0 dist 5.04899 9.49421 13.6145 8.23761 8.17061 14.6175 5.77929 8.87757 6.53269 13.3492 numMergedOcc 0
20 mol 25 unq 15 iso 0 dist 7.57578 9.48085 5.18617 4.79873 10.2864 12.7147 6.08585 8.50222 6.53269 9.35791 numMergedOcc 0
21 mol 25 unq 16 iso 0 dist 7.17969 9.48085 5.68041 4.79873 11.4148 12.7147 6.08585 7.55264 6.53269 9.35791 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 6.35756 8.96727 9.87158 8.01308 5.86526 6.20884 5.49591 8.80614 9.01564 7.11065 numMergedOcc 0
23 mol 58 unq 1 iso 0 dist 6.35756 8.01308 5.86526 8.96727 9.87158 6.20884 5.49591 8.80614 7.11065 9.01564 numMergedOcc 0
24 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 9.10345 13.4212 9.20237 11.6378 9.27838 7.58875 14.0067 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 6.19304 8.68662 6.20232 7.4369 5.70116 3.30399 6.56633 9.24757 8.96616 6.14542 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.19304 7.4369 5.70116 8.68662 6.20232 3.30399 6.56633 9.24757 6.14542 8.96616 numMergedOcc 0
27 mol 98 unq 0 iso 0 dist 6.48948 5.92242 3.9764 7.02507 7.03983 9.6331 7.42446 6.65501 4.62494 9.84743 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 6.10456 7.54889 10.4782 5.2571 3.9764 6.70343 9.67482 6.65501 8.46823 4.62494 numMergedOcc 0
29 mol 98 unq 2 iso 0 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 9.67482 6.65501 4.62494 8.46823 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 6.37586 7.93372 8.06642 9.33924 6.95573 11.4107 5.29786 6.23142 9.0176 12.2587 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 5.29786 9.94764 9.0176 12.2587 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.81386 9.01624 5.71898 6.64173 6.8757 11.196 7.20191 9.39829 5.99437 12.6232 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 7.81386 9.01624 5.71898 9.55105 5.83796 3.55187 7.20191 9.39829 5.99437 8.4848 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 7.81386 9.55105 5.83796 6.64173 6.8757 10.1041 7.20191 9.39829 8.4848 12.6232 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 7.81386 9.55105 5.83796 9.01624 5.71898 3.55187 7.20191 9.39829 8.4848 5.99437 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 7.63312 6.64173 10.6474 9.01624 5.93724 11.196 5.63555 5.9176 8.12266 10.5303 numMergedOcc 0
37 mol 181 unq 5 iso 0 dist 7.63312 6.64173 10.6474 9.55105 5.12833 10.1041 5.63555 5.9176 8.12266 9.43306 numMergedOcc 0
38 mol 181 unq 6 iso 0 dist 7.63312 9.01624 5.93724 6.64173 10.6474 11.196 7.20191 6.41453 5.99437 12.6232 numMergedOcc 0
39 mol 181 unq 7 iso 0 dist 7.63312 9.01624 5.93724 9.55105 5.12833 3.55187 7.20191 6.41453 5.99437 8.4848 numMergedOcc 0
40 mol 181 unq 8 iso 0 dist 7.63312 9.55105 5.12833 6.64173 10.6474 10.1041 5.63555 5.9176 9.43306 8.12266 numMergedOcc 0
41 mol 181 unq 9 iso 0 dist 7.63312 9.55105 5.12833 6.64173 10.6474 10.1041 7.20191 6.41453 8.4848 12.6232 numMergedOcc 0
42 mol 181 unq 10 iso 0 dist 7.63312 9.55105 5.12833 9.01624 5.93724 3.55187 5.63555 5.9176 9.43306 10.5303 numMergedOcc 0
43 mol 181 unq 11 iso 0 dist 7.63312 9.55105 5.12833 9.01624 5.93724 3.55187 7.20191 6.41453 8.4848 5.99437 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 7.21333 5.56538 6.84862 7.48954 9.53117 3.58181 7.75656 7.67576 8.43195 8.23406 numMergedOcc 0
45 mol 222 unq 1 iso 0 dist 7.21333 7.48954 9.53117 5.56538 6.84862 3.58181 7.75656 7.67576 8.23406 8.43195 numMergedOcc 0
