0 mol 7 unq 0 iso 0 dist 8.41585 9.68596 14.7759 6.88805 5.99459 10.3333 5.03847 10.3148 6.14469 5.5683 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 8.72114 13.8829 7.12508 6.1206 11.2901 6.34041 12.9581 6.14469 10.1841 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 8.72114 13.8829 11.143 7.67927 16.0449 6.34041 12.9581 6.14469 14.4236 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 8.69454 8.55451 14.126 16.147 14.519 7.35972 18.136 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 8.57077 9.62394 9.5997 8.69454 8.55451 14.126 19.4709 18.1148 9.93542 22.8835 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 8.57077 9.62394 9.5997 5.84314 5.8245 10.9352 16.147 14.519 7.35972 15.8052 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 8.57077 9.62394 9.5997 5.84314 5.8245 10.9352 19.4709 18.1148 9.93542 20.1606 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 4.10106 6.54358 6.859 10.7734 13.8584 7.98326 9.74251 numMergedOcc 0
8 mol 11 unq 1 iso 0 dist 4.61088 5.96346 6.86684 4.10106 6.54358 6.859 9.62262 10.604 7.46578 6.56765 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 5.69214 7.95042 10.8435 6.66749 9.41441 8.00171 10.0453 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 5.69214 7.95042 10.8068 6.66749 9.41441 4.2121 10.0453 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 5.69214 7.95042 5.80953 6.66749 9.41441 6.72323 10.0453 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 5.11636 7.95042 5.80953 14.012 9.41441 6.72323 10.0453 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 8.86116 9.41441 14.012 11.6226 8.09311 19.932 4.32034 12.9284 8.00171 15.7403 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 8.86116 9.41441 14.012 11.6226 8.09311 19.932 12.2662 17.592 5.95834 22.4384 numMergedOcc 0
15 mol 24 unq 6 iso 0 dist 8.86116 9.41441 14.012 11.6226 8.09311 19.932 8.67951 13.4393 4.2121 18.4902 numMergedOcc 0
16 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 11.6226 8.09311 19.932 8.52463 8.60554 6.72323 15.4445 numMergedOcc 0
17 mol 24 unq 8 iso 0 dist 8.86116 9.41441 14.012 13.1949 9.05357 17.7407 4.32034 12.9284 8.00171 16.8505 numMergedOcc 0
18 mol 24 unq 9 iso 0 dist 8.86116 9.41441 14.012 13.1949 9.05357 17.7407 12.2662 17.592 5.95834 18.5058 numMergedOcc 0
19 mol 24 unq 10 iso 0 dist 8.86116 9.41441 14.012 13.1949 9.05357 17.7407 8.67951 13.4393 4.2121 15.0276 numMergedOcc 0
20 mol 24 unq 11 iso 0 dist 8.86116 9.41441 14.012 13.1949 9.05357 17.7407 8.52463 8.60554 6.72323 11.8971 numMergedOcc 0
21 mol 24 unq 12 iso 0 dist 5.54419 8.4051 5.11617 4.82629 6.6219 11.3231 12.176 6.73939 6.72323 12.5545 numMergedOcc 0
22 mol 24 unq 13 iso 0 dist 5.54419 8.4051 5.11617 10.1698 5.68215 6.61696 12.176 6.73939 6.72323 4.08755 numMergedOcc 0
23 mol 24 unq 14 iso 0 dist 7.36323 8.4051 13.2229 6.28159 8.87744 12.3034 12.176 18.673 6.72323 15.9573 numMergedOcc 0
24 mol 24 unq 15 iso 0 dist 7.36323 8.4051 13.2229 5.50396 7.27472 9.84204 12.176 18.673 6.72323 14.7634 numMergedOcc 0
25 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 6.47509 7.05196 5.20109 5.77929 8.87757 6.25843 3.904 numMergedOcc 0
26 mol 25 unq 1 iso 0 dist 5.04899 9.01548 13.9331 6.47509 7.05196 12.506 5.77929 8.87757 8.88938 3.904 numMergedOcc 0
27 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 7.33728 7.45383 6.25843 11.0227 numMergedOcc 0
28 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 13.9331 9.01548 8.88938 15.1255 numMergedOcc 0
29 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 7.33728 7.45383 6.25843 4.98822 numMergedOcc 0
30 mol 25 unq 5 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 13.9331 9.01548 8.88938 13.4321 numMergedOcc 0
31 mol 25 unq 6 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 7.33728 7.45383 6.25843 10.3547 numMergedOcc 0
32 mol 25 unq 7 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 13.9331 9.01548 8.88938 8.84447 numMergedOcc 0
33 mol 25 unq 8 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 7.33728 7.45383 6.25843 7.91914 numMergedOcc 0
34 mol 25 unq 9 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 13.9331 9.01548 8.88938 9.66912 numMergedOcc 0
35 mol 25 unq 10 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 7.33728 7.45383 6.25843 11.7069 numMergedOcc 0
36 mol 25 unq 11 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 13.9331 9.01548 8.88938 13.1117 numMergedOcc 0
37 mol 25 unq 12 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 7.33728 7.45383 6.25843 9.62058 numMergedOcc 0
38 mol 25 unq 13 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 13.9331 9.01548 8.88938 5.38592 numMergedOcc 0
39 mol 25 unq 14 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 9.34396 6.16347 6.25843 5.46578 numMergedOcc 0
40 mol 25 unq 15 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 10.5328 13.8469 8.88938 16.9163 numMergedOcc 0
41 mol 25 unq 16 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 9.34396 6.16347 6.25843 9.62058 numMergedOcc 0
42 mol 25 unq 17 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 10.5328 13.8469 8.88938 5.38592 numMergedOcc 0
43 mol 25 unq 18 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 10.8498 6.16347 6.25843 5.46578 numMergedOcc 0
44 mol 25 unq 19 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 10.4337 13.8469 8.88938 16.9163 numMergedOcc 0
45 mol 25 unq 20 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 10.8498 6.16347 6.25843 9.62058 numMergedOcc 0
46 mol 25 unq 21 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 10.4337 13.8469 8.88938 5.38592 numMergedOcc 0
47 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 5.70116 9.73086 6.14542 6.29906 12.1382 8.87464 3.85385 numMergedOcc 0
48 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 6.20232 8.68662 8.96616 6.29906 10.2755 8.87464 5.29727 numMergedOcc 0
49 mol 73 unq 2 iso 0 dist 6.19304 9.24757 6.56633 5.70116 7.4369 6.14542 6.29906 10.2755 8.87464 3.85385 numMergedOcc 0
50 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 11.2069 5.5087 14.6027 6.29906 10.8139 8.87464 12.6307 numMergedOcc 0
51 mol 73 unq 4 iso 0 dist 8.70481 9.24757 15.3808 10.6713 6.08682 13.8591 6.29906 10.8139 8.87464 9.42637 numMergedOcc 0
52 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 7.06961 6.7117 6.88901 3.94967 numMergedOcc 0
53 mol 98 unq 1 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 7.06961 9.42961 6.88901 3.94967 numMergedOcc 0
54 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 7.03983 7.02507 9.84743 7.06961 9.42961 6.88901 13.4954 numMergedOcc 0
55 mol 98 unq 3 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 7.06961 4.47349 6.88901 3.92737 numMergedOcc 0
56 mol 98 unq 4 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 7.06961 4.47349 6.88901 3.94967 numMergedOcc 0
57 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 4.03277 8.91882 6.59691 10.6848 14.8081 9.5057 12.48 numMergedOcc 0
58 mol 100 unq 1 iso 0 dist 7.47343 8.30845 12.2861 5.9143 7.82475 13.9449 15.3454 21.075 9.5057 20.2534 numMergedOcc 0
59 mol 100 unq 2 iso 0 dist 7.47343 8.30845 12.2861 5.47563 5.35782 13.2383 15.3454 21.075 9.5057 20.8003 numMergedOcc 0
60 mol 100 unq 3 iso 0 dist 6.65086 8.30845 5.80144 6.23008 8.91882 6.59691 15.3454 14.8081 9.5057 12.48 numMergedOcc 0
61 mol 129 unq 0 iso 0 dist 5.83384 6.28565 4.55551 9.00231 5.58833 9.8591 10.7293 9.36851 9.73158 9.30433 numMergedOcc 0
62 mol 129 unq 1 iso 0 dist 5.83384 6.28565 4.55551 9.00231 5.58833 9.8591 7.29399 4.97175 7.59327 4.28744 numMergedOcc 0
63 mol 133 unq 0 iso 0 dist 6.29155 6.16242 4.54648 13.0405 8.77023 8.83732 12.131 10.9581 8.95662 6.24625 numMergedOcc 0
64 mol 133 unq 1 iso 0 dist 6.80239 5.87634 4.54648 13.7612 8.77023 8.83732 14.8102 10.9581 8.95662 6.24625 numMergedOcc 0
65 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 9.87376 10.5252 6.40575 15.0575 numMergedOcc 0
66 mol 134 unq 1 iso 0 dist 6.37586 6.23142 5.29786 6.95573 9.33924 12.2587 9.87376 10.7586 6.40575 15.6686 numMergedOcc 0
67 mol 134 unq 2 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 9.87376 10.7586 6.40575 15.0575 numMergedOcc 0
68 mol 134 unq 3 iso 0 dist 6.49416 7.80532 9.87376 12.3479 9.33094 10.1824 5.71679 6.23142 6.40575 6.93712 numMergedOcc 0
69 mol 134 unq 4 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 14.9876 10.5252 6.40575 15.0575 numMergedOcc 0
70 mol 134 unq 5 iso 0 dist 9.71307 9.94764 5.29786 10.2026 9.33924 12.2587 14.9876 10.7586 6.40575 15.6686 numMergedOcc 0
71 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 14.9876 10.7586 6.40575 15.0575 numMergedOcc 0
72 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 6.50233 9.76212 7.35884 7.81713 6.2479 7.32087 6.39406 numMergedOcc 0
73 mol 181 unq 1 iso 0 dist 8.03334 6.59025 8.04639 6.50233 9.76212 11.6588 7.81713 6.2479 8.86197 6.39406 numMergedOcc 0
74 mol 181 unq 2 iso 0 dist 8.03334 6.59025 8.04639 6.50233 9.76212 11.6588 7.16549 12.8648 5.94379 11.9275 numMergedOcc 0
75 mol 181 unq 3 iso 0 dist 7.63312 5.9176 5.63555 10.6474 6.64173 8.12266 6.29863 11.9764 7.22883 14.2282 numMergedOcc 0
76 mol 181 unq 4 iso 0 dist 7.63312 5.9176 5.63555 5.93724 9.01624 10.5303 6.29863 11.9764 7.22883 12.017 numMergedOcc 0
77 mol 181 unq 5 iso 0 dist 7.63312 5.9176 5.63555 5.12833 9.55105 9.43306 6.29863 11.9764 7.22883 10.273 numMergedOcc 0
78 mol 192 unq 0 iso 0 dist 5.59424 8.77999 8.49529 9.53265 9.78634 15.7529 12.717 12.0486 6.60053 16.2567 numMergedOcc 0
79 mol 192 unq 1 iso 0 dist 5.59424 8.77999 8.49529 9.53265 9.78634 15.7529 14.8459 12.708 9.36796 16.5323 numMergedOcc 0
80 mol 192 unq 2 iso 0 dist 5.59424 8.77999 8.49529 6.35474 5.64942 13.3256 12.717 12.0486 6.60053 16.1101 numMergedOcc 0
81 mol 192 unq 3 iso 0 dist 5.59424 8.77999 8.49529 6.35474 5.64942 13.3256 14.8459 12.708 9.36796 16.7452 numMergedOcc 0
82 mol 192 unq 4 iso 0 dist 5.59424 8.77999 8.49529 5.25965 7.43054 13.7172 12.717 12.0486 6.60053 17.2438 numMergedOcc 0
83 mol 192 unq 5 iso 0 dist 5.59424 8.77999 8.49529 5.25965 7.43054 13.7172 14.8459 12.708 9.36796 18.6533 numMergedOcc 0
84 mol 192 unq 6 iso 0 dist 7.00794 8.77999 11.7523 6.35474 6.97962 13.3256 12.717 16.9245 6.60053 16.1101 numMergedOcc 0
85 mol 192 unq 7 iso 0 dist 7.00794 8.77999 11.7523 6.35474 6.97962 13.3256 14.8459 18.1003 9.36796 16.7452 numMergedOcc 0
86 mol 192 unq 8 iso 0 dist 7.00794 8.77999 11.7523 5.25965 6.79229 13.7172 12.717 16.9245 6.60053 17.2438 numMergedOcc 0
87 mol 192 unq 9 iso 0 dist 7.00794 8.77999 11.7523 5.25965 6.79229 13.7172 14.8459 18.1003 9.36796 18.6533 numMergedOcc 0
88 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 5.10213 6.71524 9.9183 12.5452 13.7227 9.78181 14.876 numMergedOcc 0
89 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 5.10213 6.71524 9.9183 8.80479 9.05071 9.8664 11.2243 numMergedOcc 0
