0 mol 7 unq 0 iso 0 dist 7.10621 6.1206 7.12508 7.67927 11.143 4.80709 13.8829 8.72114 11.2901 16.0449 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 7.67927 11.143 6.1206 7.12508 4.80709 13.8829 8.72114 16.0449 11.2901 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 8.55451 8.69454 5.8245 5.84314 3.58336 9.5997 9.62394 14.126 10.9352 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 8.57077 5.8245 5.84314 8.55451 8.69454 3.58336 9.5997 9.62394 10.9352 14.126 numMergedOcc 0
4 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
5 mol 16 unq 0 iso 1 dist 5.05803 6.57331 4.65873 6.42835 5.01101 6.09368 5.30082 6.93532 10.0132 5.94982 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.86116 8.09311 11.6226 9.05357 13.1949 9.95274 14.012 9.41441 19.932 17.7407 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 8.86116 9.05357 13.1949 8.09311 11.6226 9.95274 14.012 9.41441 17.7407 19.932 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 5.54419 6.6219 4.82629 5.68215 10.1698 10.512 5.11617 8.4051 11.3231 6.61696 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 5.54419 5.68215 10.1698 6.6219 4.82629 10.512 5.11617 8.4051 6.61696 11.3231 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 5.54419 6.6219 4.82629 5.68215 10.1698 10.512 13.1779 8.23446 11.3777 16.1924 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 5.54419 5.68215 10.1698 6.6219 4.82629 10.512 13.1779 8.23446 16.1924 11.3777 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 5.54419 6.6219 4.82629 5.68215 10.1698 10.512 10.8238 8.75662 13.0711 15.3807 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 5.54419 5.68215 10.1698 6.6219 4.82629 10.512 10.8238 8.75662 15.3807 13.0711 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 7.36323 8.87744 6.28159 7.27472 5.50396 3.73215 13.2229 8.4051 12.3034 9.84204 numMergedOcc 0
15 mol 24 unq 4 iso 1 dist 7.36323 7.27472 5.50396 8.87744 6.28159 3.73215 13.2229 8.4051 9.84204 12.3034 numMergedOcc 0
16 mol 24 unq 5 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
17 mol 24 unq 5 iso 1 dist 7.36323 7.27472 5.50396 8.87744 6.28159 3.73215 6.38336 8.23446 4.44526 4.5711 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 7.36323 8.87744 6.28159 7.27472 5.50396 3.73215 6.7828 8.75662 12.6707 9.586 numMergedOcc 0
19 mol 24 unq 6 iso 1 dist 7.36323 7.27472 5.50396 8.87744 6.28159 3.73215 6.7828 8.75662 9.586 12.6707 numMergedOcc 0
20 mol 25 unq 0 iso 0 dist 5.04899 7.52933 5.03027 6.55597 4.69295 6.53015 5.77929 8.87757 12.7995 9.16515 numMergedOcc 0
21 mol 25 unq 0 iso 1 dist 5.04899 6.55597 4.69295 7.52933 5.03027 6.53015 5.77929 8.87757 9.16515 12.7995 numMergedOcc 0
22 mol 25 unq 1 iso 0 dist 5.04899 7.52933 5.03027 9.71956 12.2542 11.8984 5.77929 8.87757 12.7995 11.5214 numMergedOcc 0
23 mol 25 unq 1 iso 1 dist 5.04899 9.71956 12.2542 7.52933 5.03027 11.8984 5.77929 8.87757 11.5214 12.7995 numMergedOcc 0
24 mol 25 unq 2 iso 0 dist 5.04899 7.52933 5.03027 7.07751 8.79309 8.64476 5.77929 8.87757 12.7995 9.82987 numMergedOcc 0
25 mol 25 unq 2 iso 1 dist 5.04899 7.07751 8.79309 7.52933 5.03027 8.64476 5.77929 8.87757 9.82987 12.7995 numMergedOcc 0
26 mol 25 unq 3 iso 0 dist 5.04899 7.52933 5.03027 8.23761 8.17061 4.64241 5.77929 8.87757 12.7995 13.3492 numMergedOcc 0
27 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 7.52933 5.03027 4.64241 5.77929 8.87757 13.3492 12.7995 numMergedOcc 0
28 mol 25 unq 4 iso 0 dist 5.04899 7.52933 5.03027 9.49421 13.6145 16.0628 5.77929 8.87757 12.7995 6.53269 numMergedOcc 0
29 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 7.52933 5.03027 16.0628 5.77929 8.87757 6.53269 12.7995 numMergedOcc 0
30 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
31 mol 25 unq 1 iso 1 dist 5.04899 9.71956 12.2542 6.55597 4.69295 9.19736 5.77929 8.87757 11.5214 9.16515 numMergedOcc 0
32 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
33 mol 25 unq 2 iso 1 dist 5.04899 7.07751 8.79309 6.55597 4.69295 5.78812 5.77929 8.87757 9.82987 9.16515 numMergedOcc 0
34 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
35 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 6.55597 4.69295 7.36721 5.77929 8.87757 13.3492 9.16515 numMergedOcc 0
36 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
37 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 6.55597 4.69295 12.1732 5.77929 8.87757 6.53269 9.16515 numMergedOcc 0
38 mol 25 unq 2 iso 0 dist 5.04899 9.71956 12.2542 7.07751 8.79309 3.56099 5.77929 8.87757 11.5214 9.82987 numMergedOcc 0
39 mol 25 unq 2 iso 1 dist 5.04899 7.07751 8.79309 9.71956 12.2542 3.56099 5.77929 8.87757 9.82987 11.5214 numMergedOcc 0
40 mol 25 unq 3 iso 0 dist 5.04899 9.71956 12.2542 8.23761 8.17061 8.42944 5.77929 8.87757 11.5214 13.3492 numMergedOcc 0
41 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 9.71956 12.2542 8.42944 5.77929 8.87757 13.3492 11.5214 numMergedOcc 0
42 mol 25 unq 4 iso 0 dist 5.04899 9.71956 12.2542 9.49421 13.6145 8.99147 5.77929 8.87757 11.5214 6.53269 numMergedOcc 0
43 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 9.71956 12.2542 8.99147 5.77929 8.87757 6.53269 11.5214 numMergedOcc 0
44 mol 25 unq 3 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
45 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 7.07751 8.79309 5.99526 5.77929 8.87757 13.3492 9.82987 numMergedOcc 0
46 mol 25 unq 4 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
47 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 7.07751 8.79309 9.54872 5.77929 8.87757 6.53269 9.82987 numMergedOcc 0
48 mol 25 unq 4 iso 0 dist 5.04899 8.23761 8.17061 9.49421 13.6145 14.6175 5.77929 8.87757 13.3492 6.53269 numMergedOcc 0
49 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 8.23761 8.17061 14.6175 5.77929 8.87757 6.53269 13.3492 numMergedOcc 0
50 mol 25 unq 5 iso 0 dist 7.57578 4.79873 10.2864 9.48085 5.18617 12.7147 6.08585 8.50222 9.35791 6.53269 numMergedOcc 0
51 mol 25 unq 5 iso 1 dist 7.57578 9.48085 5.18617 4.79873 10.2864 12.7147 6.08585 8.50222 6.53269 9.35791 numMergedOcc 0
52 mol 25 unq 6 iso 0 dist 7.17969 4.79873 11.4148 9.48085 5.68041 12.7147 6.08585 7.55264 9.35791 6.53269 numMergedOcc 0
53 mol 25 unq 6 iso 1 dist 7.17969 9.48085 5.68041 4.79873 11.4148 12.7147 6.08585 7.55264 6.53269 9.35791 numMergedOcc 0
54 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
55 mol 58 unq 0 iso 1 dist 6.35756 8.01308 5.86526 8.96727 9.87158 6.20884 5.49591 8.80614 7.11065 9.01564 numMergedOcc 0
56 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
57 mol 72 unq 0 iso 1 dist 9.96708 9.10345 13.4212 9.55118 5.69391 9.20237 11.6378 9.27838 14.0067 7.58875 numMergedOcc 0
58 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
59 mol 73 unq 0 iso 1 dist 6.19304 7.4369 5.70116 8.68662 6.20232 3.30399 6.56633 9.24757 6.14542 8.96616 numMergedOcc 0
60 mol 73 unq 1 iso 0 dist 8.70481 5.5087 11.2069 6.08682 10.6713 5.30471 15.3808 9.24757 14.6027 13.8591 numMergedOcc 0
61 mol 73 unq 1 iso 1 dist 8.70481 6.08682 10.6713 5.5087 11.2069 5.30471 15.3808 9.24757 13.8591 14.6027 numMergedOcc 0
62 mol 95 unq 0 iso 0 dist 8.03644 9.3948 11.3215 9.74607 5.06946 8.00584 11.4333 9.49454 16.0499 12.4483 numMergedOcc 0
63 mol 95 unq 0 iso 1 dist 8.03644 9.74607 5.06946 9.3948 11.3215 8.00584 11.4333 9.49454 12.4483 16.0499 numMergedOcc 0
64 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
65 mol 98 unq 0 iso 1 dist 6.48948 7.02507 7.03983 5.92242 3.9764 9.6331 7.42446 6.65501 9.84743 4.62494 numMergedOcc 0
66 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
67 mol 98 unq 1 iso 1 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 9.67482 6.65501 4.62494 8.46823 numMergedOcc 0
68 mol 100 unq 0 iso 0 dist 7.47343 7.82475 5.9143 5.35782 5.47563 3.5565 12.2861 8.30845 13.9449 13.2383 numMergedOcc 0
69 mol 100 unq 0 iso 1 dist 7.47343 5.35782 5.47563 7.82475 5.9143 3.5565 12.2861 8.30845 13.2383 13.9449 numMergedOcc 0
70 mol 100 unq 1 iso 0 dist 7.47343 7.82475 5.9143 5.35782 5.47563 3.5565 15.5385 8.76378 10.8812 11.4348 numMergedOcc 0
71 mol 100 unq 1 iso 1 dist 7.47343 5.35782 5.47563 7.82475 5.9143 3.5565 15.5385 8.76378 11.4348 10.8812 numMergedOcc 0
72 mol 134 unq 0 iso 0 dist 6.37586 9.33924 6.95573 7.93372 8.06642 11.4107 5.29786 6.23142 12.2587 9.0176 numMergedOcc 0
73 mol 134 unq 0 iso 1 dist 6.37586 7.93372 8.06642 9.33924 6.95573 11.4107 5.29786 6.23142 9.0176 12.2587 numMergedOcc 0
74 mol 134 unq 1 iso 0 dist 9.71307 9.33924 10.2026 7.93372 4.00092 11.4107 5.29786 9.94764 12.2587 9.0176 numMergedOcc 0
75 mol 134 unq 1 iso 1 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 5.29786 9.94764 9.0176 12.2587 numMergedOcc 0
76 mol 181 unq 0 iso 0 dist 7.81386 6.64173 6.8757 9.01624 5.71898 11.196 7.20191 9.39829 12.6232 5.99437 numMergedOcc 0
77 mol 181 unq 0 iso 1 dist 7.81386 9.01624 5.71898 6.64173 6.8757 11.196 7.20191 9.39829 5.99437 12.6232 numMergedOcc 0
78 mol 181 unq 1 iso 0 dist 7.81386 6.64173 6.8757 9.55105 5.83796 10.1041 7.20191 9.39829 12.6232 8.4848 numMergedOcc 0
79 mol 181 unq 1 iso 1 dist 7.81386 9.55105 5.83796 6.64173 6.8757 10.1041 7.20191 9.39829 8.4848 12.6232 numMergedOcc 0
80 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
81 mol 181 unq 1 iso 1 dist 7.81386 9.55105 5.83796 9.01624 5.71898 3.55187 7.20191 9.39829 8.4848 5.99437 numMergedOcc 0
82 mol 181 unq 2 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
83 mol 181 unq 2 iso 1 dist 7.63312 9.01624 5.93724 6.64173 10.6474 11.196 5.63555 5.9176 10.5303 8.12266 numMergedOcc 0
84 mol 181 unq 3 iso 0 dist 7.63312 6.64173 10.6474 9.01624 5.93724 11.196 7.20191 6.41453 12.6232 5.99437 numMergedOcc 0
85 mol 181 unq 3 iso 1 dist 7.63312 9.01624 5.93724 6.64173 10.6474 11.196 7.20191 6.41453 5.99437 12.6232 numMergedOcc 0
86 mol 181 unq 4 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
87 mol 181 unq 4 iso 1 dist 7.63312 9.55105 5.12833 6.64173 10.6474 10.1041 5.63555 5.9176 9.43306 8.12266 numMergedOcc 0
88 mol 181 unq 5 iso 0 dist 7.63312 6.64173 10.6474 9.55105 5.12833 10.1041 7.20191 6.41453 12.6232 8.4848 numMergedOcc 0
89 mol 181 unq 5 iso 1 dist 7.63312 9.55105 5.12833 6.64173 10.6474 10.1041 7.20191 6.41453 8.4848 12.6232 numMergedOcc 0
90 mol 181 unq 4 iso 0 dist 7.63312 9.01624 5.93724 9.55105 5.12833 3.55187 5.63555 5.9176 10.5303 9.43306 numMergedOcc 0
91 mol 181 unq 4 iso 1 dist 7.63312 9.55105 5.12833 9.01624 5.93724 3.55187 5.63555 5.9176 9.43306 10.5303 numMergedOcc 0
92 mol 181 unq 5 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
93 mol 181 unq 5 iso 1 dist 7.63312 9.55105 5.12833 9.01624 5.93724 3.55187 7.20191 6.41453 8.4848 5.99437 numMergedOcc 0
94 mol 192 unq 0 iso 0 dist 5.59424 9.78634 9.53265 5.64942 6.35474 5.9655 8.49529 8.77999 15.7529 13.3256 numMergedOcc 0
95 mol 192 unq 0 iso 1 dist 5.59424 5.64942 6.35474 9.78634 9.53265 5.9655 8.49529 8.77999 13.3256 15.7529 numMergedOcc 0
96 mol 192 unq 1 iso 0 dist 5.59424 9.78634 9.53265 7.43054 5.25965 7.70298 8.49529 8.77999 15.7529 13.7172 numMergedOcc 0
97 mol 192 unq 1 iso 1 dist 5.59424 7.43054 5.25965 9.78634 9.53265 7.70298 8.49529 8.77999 13.7172 15.7529 numMergedOcc 0
98 mol 192 unq 1 iso 0 dist 5.59424 5.64942 6.35474 7.43054 5.25965 3.60331 8.49529 8.77999 13.3256 13.7172 numMergedOcc 0
99 mol 192 unq 1 iso 1 dist 5.59424 7.43054 5.25965 5.64942 6.35474 3.60331 8.49529 8.77999 13.7172 13.3256 numMergedOcc 0
100 mol 192 unq 2 iso 0 dist 7.00794 6.97962 6.35474 6.79229 5.25965 3.60331 11.7523 8.77999 13.3256 13.7172 numMergedOcc 0
101 mol 192 unq 2 iso 1 dist 7.00794 6.79229 5.25965 6.97962 6.35474 3.60331 11.7523 8.77999 13.7172 13.3256 numMergedOcc 0
102 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
103 mol 222 unq 0 iso 1 dist 7.21333 7.48954 9.53117 5.56538 6.84862 3.58181 7.75656 7.67576 8.23406 8.43195 numMergedOcc 0
104 mol 222 unq 1 iso 0 dist 7.21333 5.56538 6.84862 7.48954 9.53117 3.58181 16.0949 9.82371 14.0832 14.9425 numMergedOcc 0
105 mol 222 unq 1 iso 1 dist 7.21333 7.48954 9.53117 5.56538 6.84862 3.58181 16.0949 9.82371 14.9425 14.0832 numMergedOcc 0
106 mol 259 unq 0 iso 0 dist 7.88519 9.63573 7.20604 7.66153 8.8603 10.3051 8.81835 7.98231 11.547 14.6679 numMergedOcc 0
107 mol 259 unq 0 iso 1 dist 7.88519 7.66153 8.8603 9.63573 7.20604 10.3051 8.81835 7.98231 14.6679 11.547 numMergedOcc 0
108 mol 259 unq 1 iso 0 dist 7.46176 9.63573 5.21606 7.66153 11.8896 10.3051 8.81835 7.08526 11.547 14.6679 numMergedOcc 0
109 mol 259 unq 1 iso 1 dist 7.46176 7.66153 11.8896 9.63573 5.21606 10.3051 8.81835 7.08526 14.6679 11.547 numMergedOcc 0
