0 mol 11 unq 0 iso 0 dist 4.61088 6.54358 4.10106 6.86684 5.96346 6.859 13.8584 10.7734 9.74251 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 4.61088 6.54358 4.10106 6.86684 5.96346 6.859 10.604 9.62262 6.56765 7.46578 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 8.52463 7.29868 5.80953 9.41441 6.66749 10.0453 6.72323 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.86116 7.95042 5.11636 8.52463 8.60554 5.80953 9.41441 14.012 10.0453 6.72323 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.54419 6.6219 4.82629 6.56748 11.3566 9.73647 6.73939 12.176 12.5545 5.95834 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 5.54419 5.68215 10.1698 6.56748 11.3566 7.26334 6.73939 12.176 4.08755 5.95834 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.54419 5.68215 10.1698 4.50066 9.83002 6.19899 6.73939 12.176 4.08755 4.2121 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.54419 5.68215 10.1698 5.11617 8.4051 6.61696 6.73939 12.176 4.08755 6.72323 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 5.04899 6.55597 4.69295 5.77929 8.87757 9.16515 7.45383 7.33728 4.98822 6.25843 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 5.04899 6.55597 4.69295 5.77929 8.87757 9.16515 9.01548 13.9331 13.4321 8.88938 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 5.04899 7.07751 8.79309 5.77929 8.87757 9.82987 7.45383 7.33728 7.91914 6.25843 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 5.04899 7.07751 8.79309 5.77929 8.87757 9.82987 9.01548 13.9331 9.66912 8.88938 numMergedOcc 0
12 mol 25 unq 4 iso 0 dist 5.04899 9.49421 13.6145 5.77929 8.87757 6.53269 7.45383 7.33728 9.62058 6.25843 numMergedOcc 0
13 mol 25 unq 5 iso 0 dist 5.04899 9.49421 13.6145 5.77929 8.87757 6.53269 9.01548 13.9331 5.38592 8.88938 numMergedOcc 0
14 mol 25 unq 6 iso 0 dist 5.04899 7.05196 6.47509 7.33728 7.45383 5.20109 8.87757 5.77929 3.904 6.25843 numMergedOcc 0
15 mol 25 unq 7 iso 0 dist 7.57578 9.48085 5.18617 6.08585 8.50222 6.53269 6.16347 9.34396 9.62058 6.25843 numMergedOcc 0
16 mol 25 unq 8 iso 0 dist 7.57578 9.48085 5.18617 6.08585 8.50222 6.53269 13.8469 10.5328 5.38592 8.88938 numMergedOcc 0
17 mol 25 unq 9 iso 0 dist 7.17969 9.48085 5.68041 6.08585 7.55264 6.53269 6.16347 10.8498 9.62058 6.25843 numMergedOcc 0
18 mol 25 unq 10 iso 0 dist 7.17969 9.48085 5.68041 6.08585 7.55264 6.53269 13.8469 10.4337 5.38592 8.88938 numMergedOcc 0
19 mol 60 unq 0 iso 0 dist 6.65595 7.57295 7.80499 9.49968 12.1928 6.63448 10.1323 12.5049 5.85676 8.97364 numMergedOcc 0
20 mol 60 unq 1 iso 0 dist 8.90863 7.48086 7.80499 5.32257 12.1928 6.63448 11.6165 12.5049 5.85676 8.97364 numMergedOcc 0
21 mol 60 unq 2 iso 0 dist 9.25011 7.57295 5.6397 9.49968 11.3973 6.63448 10.1323 10.5035 5.85676 8.97364 numMergedOcc 0
22 mol 60 unq 3 iso 0 dist 6.43294 7.57295 8.62476 9.49968 11.816 6.63448 10.1323 7.04075 5.85676 8.97364 numMergedOcc 0
23 mol 60 unq 4 iso 0 dist 8.7531 8.4312 8.62476 5.94827 11.816 6.63448 9.90939 7.04075 5.85676 8.97364 numMergedOcc 0
24 mol 60 unq 5 iso 0 dist 8.52121 7.57295 6.55502 9.49968 12.3484 6.63448 10.1323 6.10837 5.85676 8.97364 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 5.11416 13.8696 6.14542 12.1382 20.1729 3.85385 8.87464 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 9.96396 9.73086 5.70116 5.11416 9.24757 6.14542 12.1382 6.29906 3.85385 8.87464 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 6.19304 8.68662 6.20232 6.56633 9.24757 8.96616 10.2755 6.29906 5.29727 8.87464 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 6.19304 7.4369 5.70116 6.56633 9.24757 6.14542 10.2755 6.29906 3.85385 8.87464 numMergedOcc 0
29 mol 73 unq 4 iso 0 dist 9.75218 9.73086 14.844 5.11416 13.0145 6.14542 12.1382 14.8598 3.85385 8.87464 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 7.94178 11.3043 9.84703 6.7117 7.06961 3.94967 7.36769 numMergedOcc 0
31 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 4.4057 6.65501 4.62494 6.7117 7.06961 3.94967 6.88901 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 15.7178 11.3043 9.84703 9.42961 7.06961 3.94967 7.36769 numMergedOcc 0
33 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 7.42446 6.65501 4.62494 9.42961 7.06961 3.94967 6.88901 numMergedOcc 0
34 mol 98 unq 4 iso 0 dist 6.10456 7.54889 10.4782 9.85543 11.3043 9.25444 4.47349 7.06961 3.92737 7.36769 numMergedOcc 0
35 mol 98 unq 5 iso 0 dist 6.10456 7.54889 10.4782 9.67482 6.65501 8.46823 4.47349 7.06961 3.92737 6.88901 numMergedOcc 0
36 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 9.85543 11.3043 9.84703 4.47349 7.06961 3.94967 7.36769 numMergedOcc 0
37 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 9.67482 6.65501 4.62494 4.47349 7.06961 3.94967 6.88901 numMergedOcc 0
38 mol 100 unq 0 iso 0 dist 8.87449 9.21662 9.39125 5.42531 10.9242 6.59691 7.80975 7.97897 12.48 9.5057 numMergedOcc 0
39 mol 100 unq 1 iso 0 dist 9.60661 8.91882 4.03277 5.80144 7.01812 6.59691 14.8081 10.6848 12.48 9.5057 numMergedOcc 0
40 mol 100 unq 2 iso 0 dist 6.65086 8.91882 6.23008 5.80144 8.30845 6.59691 14.8081 15.3454 12.48 9.5057 numMergedOcc 0
41 mol 133 unq 0 iso 0 dist 6.29155 8.77023 13.0405 4.54648 6.16242 8.83732 10.9581 12.131 6.24625 8.95662 numMergedOcc 0
42 mol 133 unq 1 iso 0 dist 6.80239 8.77023 13.7612 4.54648 5.87634 8.83732 10.9581 14.8102 6.24625 8.95662 numMergedOcc 0
43 mol 133 unq 2 iso 0 dist 8.00618 8.77023 15.0115 4.54648 10.9061 8.83732 10.9581 18.5594 6.24625 8.95662 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 4.57832 6.23142 9.0176 10.5252 9.87376 15.0575 6.40575 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 6.37586 7.93372 8.06642 5.29786 6.23142 9.0176 10.7586 9.87376 15.0575 6.40575 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 9.86662 7.21868 4.00092 4.57832 9.94764 9.0176 10.5252 14.9876 15.0575 6.40575 numMergedOcc 0
47 mol 134 unq 3 iso 0 dist 9.71307 7.93372 4.00092 5.29786 9.94764 9.0176 10.7586 14.9876 15.0575 6.40575 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.1374 9.76212 12.9532 4.43096 12.4878 7.35884 6.2479 6.6251 6.39406 7.32087 numMergedOcc 0
49 mol 181 unq 1 iso 0 dist 8.03334 9.76212 6.50233 4.43096 6.46704 7.35884 6.2479 7.81713 6.39406 7.32087 numMergedOcc 0
50 mol 181 unq 2 iso 0 dist 7.81386 6.64173 6.8757 5.63555 10.4943 8.12266 11.9764 14.4964 14.2282 7.22883 numMergedOcc 0
51 mol 181 unq 3 iso 0 dist 7.81386 9.55105 5.83796 5.63555 10.4943 9.43306 11.9764 14.4964 10.273 7.22883 numMergedOcc 0
52 mol 181 unq 4 iso 0 dist 7.63312 6.64173 10.6474 5.63555 5.9176 8.12266 11.9764 6.29863 14.2282 7.22883 numMergedOcc 0
53 mol 181 unq 5 iso 0 dist 7.63312 9.55105 5.12833 5.63555 5.9176 9.43306 11.9764 6.29863 10.273 7.22883 numMergedOcc 0
54 mol 232 unq 0 iso 0 dist 8.27212 6.71524 5.10213 4.9377 9.40808 9.9183 13.7227 12.5452 14.876 9.78181 numMergedOcc 0
55 mol 232 unq 1 iso 0 dist 8.27212 6.71524 5.10213 4.9377 9.40808 9.9183 9.05071 8.80479 11.2243 9.8664 numMergedOcc 0
56 mol 273 unq 0 iso 0 dist 9.01049 9.59325 12.2939 4.60101 11.6152 6.35532 8.49177 9.25493 3.78984 7.16346 numMergedOcc 0
57 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 7.70529 16.795 9.26157 10.8214 17.1051 16.0346 8.20644 numMergedOcc 0
