0 mol 7 unq 0 iso 0 dist 8.41585 9.68596 14.7759 9.87885 12.8323 10.1841 5.03847 10.3148 6.14469 11.2901 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 8.72114 13.8829 9.67164 13.156 5.5683 6.34041 12.9581 6.14469 10.3333 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 4.32034 7.33768 8.00171 10.8435 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 12.2662 12.2059 5.95834 14.7426 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 8.67951 9.01567 4.2121 10.8068 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 8.52463 7.29868 6.72323 5.80953 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.86116 8.60554 8.52463 8.09311 11.6226 15.4445 14.012 9.41441 6.72323 19.932 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 9.05357 13.1949 11.8971 14.012 9.41441 6.72323 17.7407 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 4.32034 12.9284 8.00171 10.8435 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 12.2662 17.592 5.95834 14.7426 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 8.67951 13.4393 4.2121 10.8068 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 8.52463 8.60554 6.72323 5.80953 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 8.38394 8.60554 12.3994 8.09311 6.17155 15.4445 14.012 15.392 6.72323 19.932 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 8.38394 8.60554 12.3994 9.05357 10.3122 11.8971 14.012 15.392 6.72323 17.7407 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 6.56748 11.3566 5.95834 9.73647 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 4.50066 9.83002 4.2121 10.1229 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 11.9112 16.8439 8.00171 17.8878 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 5.11617 8.4051 6.72323 11.3231 numMergedOcc 0
18 mol 24 unq 16 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 6.56748 11.3566 5.95834 7.26334 numMergedOcc 0
19 mol 24 unq 17 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 4.50066 9.83002 4.2121 6.19899 numMergedOcc 0
20 mol 24 unq 18 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 11.9112 16.8439 8.00171 11.9029 numMergedOcc 0
21 mol 24 unq 19 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 5.11617 8.4051 6.72323 6.61696 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 7.52933 5.03027 11.0227 5.77929 8.87757 6.25843 12.7995 numMergedOcc 0
23 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 6.55597 4.69295 4.98822 5.77929 8.87757 6.25843 9.16515 numMergedOcc 0
24 mol 25 unq 2 iso 0 dist 5.04899 7.45383 7.33728 9.71956 12.2542 10.3547 5.77929 8.87757 6.25843 11.5214 numMergedOcc 0
25 mol 25 unq 3 iso 0 dist 5.04899 7.45383 7.33728 7.07751 8.79309 7.91914 5.77929 8.87757 6.25843 9.82987 numMergedOcc 0
26 mol 25 unq 4 iso 0 dist 5.04899 7.45383 7.33728 8.23761 8.17061 11.7069 5.77929 8.87757 6.25843 13.3492 numMergedOcc 0
27 mol 25 unq 5 iso 0 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 5.77929 8.87757 6.25843 6.53269 numMergedOcc 0
28 mol 25 unq 6 iso 0 dist 5.04899 9.01548 13.9331 7.52933 5.03027 15.1255 5.77929 8.87757 8.88938 12.7995 numMergedOcc 0
29 mol 25 unq 7 iso 0 dist 5.04899 9.01548 13.9331 6.55597 4.69295 13.4321 5.77929 8.87757 8.88938 9.16515 numMergedOcc 0
30 mol 25 unq 8 iso 0 dist 5.04899 9.01548 13.9331 9.71956 12.2542 8.84447 5.77929 8.87757 8.88938 11.5214 numMergedOcc 0
31 mol 25 unq 9 iso 0 dist 5.04899 9.01548 13.9331 7.07751 8.79309 9.66912 5.77929 8.87757 8.88938 9.82987 numMergedOcc 0
32 mol 25 unq 10 iso 0 dist 5.04899 9.01548 13.9331 8.23761 8.17061 13.1117 5.77929 8.87757 8.88938 13.3492 numMergedOcc 0
33 mol 25 unq 11 iso 0 dist 5.04899 9.01548 13.9331 9.49421 13.6145 5.38592 5.77929 8.87757 8.88938 6.53269 numMergedOcc 0
34 mol 25 unq 12 iso 0 dist 5.04899 8.87757 5.77929 7.05196 6.47509 3.904 7.33728 7.45383 6.25843 5.20109 numMergedOcc 0
35 mol 25 unq 13 iso 0 dist 5.04899 8.87757 5.77929 7.05196 6.47509 3.904 13.9331 9.01548 8.88938 12.506 numMergedOcc 0
36 mol 25 unq 14 iso 0 dist 7.57578 6.16347 9.34396 4.79873 10.2864 5.46578 6.08585 8.50222 6.25843 9.35791 numMergedOcc 0
37 mol 25 unq 15 iso 0 dist 7.57578 6.16347 9.34396 9.48085 5.18617 9.62058 6.08585 8.50222 6.25843 6.53269 numMergedOcc 0
38 mol 25 unq 16 iso 0 dist 7.17969 6.16347 10.8498 4.79873 11.4148 5.46578 6.08585 7.55264 6.25843 9.35791 numMergedOcc 0
39 mol 25 unq 17 iso 0 dist 7.17969 6.16347 10.8498 9.48085 5.68041 9.62058 6.08585 7.55264 6.25843 6.53269 numMergedOcc 0
40 mol 60 unq 0 iso 0 dist 8.7531 9.90939 7.04075 8.4312 8.62476 5.85676 5.94827 11.816 8.97364 6.63448 numMergedOcc 0
41 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 7.94178 11.3043 7.36769 9.84703 numMergedOcc 0
42 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 4.4057 6.65501 6.88901 4.62494 numMergedOcc 0
43 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 9.85543 11.3043 7.36769 9.25444 numMergedOcc 0
44 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 9.67482 6.65501 6.88901 8.46823 numMergedOcc 0
45 mol 98 unq 4 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 9.85543 11.3043 7.36769 9.84703 numMergedOcc 0
46 mol 98 unq 5 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 9.67482 6.65501 6.88901 4.62494 numMergedOcc 0
47 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 9.90751 9.72773 15.0328 5.42531 10.9242 9.5057 10.3057 numMergedOcc 0
48 mol 100 unq 1 iso 0 dist 8.87449 7.80975 7.97897 9.90751 9.72773 15.0328 4.86592 10.8527 5.75014 13.9158 numMergedOcc 0
49 mol 100 unq 2 iso 0 dist 8.87449 7.80975 7.97897 9.21662 9.39125 12.48 5.42531 10.9242 9.5057 6.59691 numMergedOcc 0
50 mol 100 unq 3 iso 0 dist 8.87449 7.80975 7.97897 9.21662 9.39125 12.48 4.86592 10.8527 5.75014 11.1692 numMergedOcc 0
51 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 8.80934 5.70579 7.1951 7.27193 11.9334 6.6317 11.5006 numMergedOcc 0
52 mol 129 unq 0 iso 0 dist 5.83384 9.36851 10.7293 5.58833 9.00231 9.30433 4.55551 6.28565 9.73158 9.8591 numMergedOcc 0
53 mol 129 unq 1 iso 0 dist 5.83384 4.97175 7.29399 5.58833 9.00231 4.28744 4.55551 6.28565 7.59327 9.8591 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 9.33094 7.41373 6.93712 9.87376 10.5252 6.40575 10.1824 numMergedOcc 0
55 mol 134 unq 1 iso 0 dist 6.37586 6.23142 5.29786 9.33094 10.8635 6.93712 9.87376 10.7586 6.40575 10.1824 numMergedOcc 0
56 mol 134 unq 2 iso 0 dist 6.49416 6.23142 5.71679 9.33094 12.3479 6.93712 9.87376 7.80532 6.40575 10.1824 numMergedOcc 0
57 mol 134 unq 3 iso 0 dist 9.86662 9.94764 4.57832 9.1998 12.8086 11.5269 14.9876 10.5252 6.40575 13.3808 numMergedOcc 0
58 mol 134 unq 4 iso 0 dist 9.86662 9.94764 4.57832 8.69531 7.41373 6.93712 14.9876 10.5252 6.40575 10.1824 numMergedOcc 0
59 mol 134 unq 5 iso 0 dist 9.71307 9.94764 5.29786 9.1998 15.0225 11.5269 14.9876 10.7586 6.40575 13.3808 numMergedOcc 0
60 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 8.69531 10.8635 6.93712 14.9876 10.7586 6.40575 10.1824 numMergedOcc 0
61 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 9.76212 12.9532 6.39406 4.43096 12.4878 7.32087 7.35884 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 9.76212 12.9532 6.39406 8.04639 10.6908 8.86197 11.6588 numMergedOcc 0
63 mol 181 unq 2 iso 0 dist 8.03334 6.2479 7.81713 9.76212 6.50233 6.39406 4.43096 6.46704 7.32087 7.35884 numMergedOcc 0
64 mol 181 unq 3 iso 0 dist 8.03334 6.2479 7.81713 9.76212 6.50233 6.39406 8.04639 6.59025 8.86197 11.6588 numMergedOcc 0
65 mol 181 unq 4 iso 0 dist 7.81386 5.94469 7.77758 6.64173 6.8757 4.98436 9.69409 14.08 9.92471 14.2797 numMergedOcc 0
66 mol 181 unq 5 iso 0 dist 7.81386 5.94469 7.77758 9.01624 5.71898 11.9796 9.69409 14.08 9.92471 15.0909 numMergedOcc 0
67 mol 181 unq 6 iso 0 dist 7.81386 5.94469 7.77758 9.55105 5.83796 12.3589 9.69409 14.08 9.92471 17.3467 numMergedOcc 0
68 mol 181 unq 7 iso 0 dist 7.63312 5.94469 12.5387 6.64173 10.6474 4.98436 9.69409 15.9489 9.92471 14.2797 numMergedOcc 0
69 mol 181 unq 8 iso 0 dist 7.63312 5.94469 12.5387 9.01624 5.93724 11.9796 9.69409 15.9489 9.92471 15.0909 numMergedOcc 0
70 mol 181 unq 9 iso 0 dist 7.63312 5.94469 12.5387 9.55105 5.12833 12.3589 9.69409 15.9489 9.92471 17.3467 numMergedOcc 0
71 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 6.71524 5.10213 11.2243 4.9377 9.40808 9.8664 9.9183 numMergedOcc 0
72 mol 273 unq 0 iso 0 dist 9.01049 8.49177 9.25493 9.59325 12.2939 3.78984 4.60101 11.6152 7.16346 6.35532 numMergedOcc 0
