0 mol 11 unq 0 iso 0 dist 5.96346 10.7734 7.98326 4.10106 6.859 9.74251 4.61088 6.86684 13.8584 6.54358 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.96346 9.62262 7.46578 4.10106 6.859 6.56765 4.61088 6.86684 10.604 6.54358 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 5.89412 9.75966 6.03257 6.91314 6.23015 5.20798 11.3543 10.1154 6.42748 8.85174 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 7.07399 4.39605 6.03257 5.49251 6.23015 5.20798 10.6338 10.1154 6.42748 8.85174 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 11.0194 4.50066 6.73939 5.68215 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 5.54419 5.11617 6.73939 5.68215 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 15.5324 8.52463 9.41441 7.95042 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 11.0194 5.11617 6.73939 5.68215 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 6.86014 8.52463 9.41441 7.95042 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 13.2433 5.11617 6.73939 5.68215 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 8.86116 8.52463 9.41441 7.95042 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 8.87757 7.33728 6.25843 4.69295 9.16515 4.98822 5.04899 5.77929 7.45383 6.55597 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 8.87757 7.33728 6.25843 8.79309 9.82987 7.91914 5.04899 5.77929 7.45383 7.07751 numMergedOcc 0
13 mol 25 unq 2 iso 0 dist 8.87757 7.33728 6.25843 13.6145 6.53269 9.62058 11.9561 6.08585 6.16347 9.48085 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 8.87757 7.33728 6.25843 13.6145 6.53269 9.62058 5.04899 5.77929 7.45383 9.49421 numMergedOcc 0
15 mol 25 unq 4 iso 0 dist 8.87757 13.9331 8.88938 4.69295 9.16515 13.4321 5.04899 5.77929 9.01548 6.55597 numMergedOcc 0
16 mol 25 unq 5 iso 0 dist 8.87757 13.9331 8.88938 8.79309 9.82987 9.66912 5.04899 5.77929 9.01548 7.07751 numMergedOcc 0
17 mol 25 unq 6 iso 0 dist 8.87757 13.9331 8.88938 13.6145 6.53269 5.38592 11.9561 6.08585 13.8469 9.48085 numMergedOcc 0
18 mol 25 unq 7 iso 0 dist 8.87757 13.9331 8.88938 13.6145 6.53269 5.38592 5.04899 5.77929 9.01548 9.49421 numMergedOcc 0
19 mol 25 unq 8 iso 0 dist 6.16347 6.08585 6.25843 5.63212 5.20109 3.904 11.9561 7.33728 8.87757 7.05196 numMergedOcc 0
20 mol 25 unq 9 iso 0 dist 7.45383 5.77929 6.25843 6.47509 5.20109 3.904 5.04899 7.33728 8.87757 7.05196 numMergedOcc 0
21 mol 25 unq 10 iso 0 dist 8.50222 9.34396 6.25843 13.2447 9.16515 4.98822 12.7009 5.77929 7.45383 6.55597 numMergedOcc 0
22 mol 25 unq 11 iso 0 dist 8.50222 9.34396 6.25843 11.8139 9.82987 7.91914 12.7009 5.77929 7.45383 7.07751 numMergedOcc 0
23 mol 25 unq 12 iso 0 dist 8.50222 9.34396 6.25843 5.18617 6.53269 9.62058 7.57578 6.08585 6.16347 9.48085 numMergedOcc 0
24 mol 25 unq 13 iso 0 dist 8.50222 9.34396 6.25843 5.18617 6.53269 9.62058 12.7009 5.77929 7.45383 9.49421 numMergedOcc 0
25 mol 25 unq 14 iso 0 dist 8.50222 10.5328 8.88938 13.2447 9.16515 13.4321 12.7009 5.77929 9.01548 6.55597 numMergedOcc 0
26 mol 25 unq 15 iso 0 dist 8.50222 10.5328 8.88938 11.8139 9.82987 9.66912 12.7009 5.77929 9.01548 7.07751 numMergedOcc 0
27 mol 25 unq 16 iso 0 dist 8.50222 10.5328 8.88938 5.18617 6.53269 5.38592 7.57578 6.08585 13.8469 9.48085 numMergedOcc 0
28 mol 25 unq 17 iso 0 dist 8.50222 10.5328 8.88938 5.18617 6.53269 5.38592 12.7009 5.77929 9.01548 9.49421 numMergedOcc 0
29 mol 25 unq 18 iso 0 dist 7.55264 10.8498 6.25843 14.9982 9.16515 4.98822 12.8117 5.77929 7.45383 6.55597 numMergedOcc 0
30 mol 25 unq 19 iso 0 dist 7.55264 10.8498 6.25843 14.1251 9.82987 7.91914 12.8117 5.77929 7.45383 7.07751 numMergedOcc 0
31 mol 25 unq 20 iso 0 dist 7.55264 10.8498 6.25843 5.68041 6.53269 9.62058 7.17969 6.08585 6.16347 9.48085 numMergedOcc 0
32 mol 25 unq 21 iso 0 dist 7.55264 10.8498 6.25843 5.68041 6.53269 9.62058 12.8117 5.77929 7.45383 9.49421 numMergedOcc 0
33 mol 25 unq 22 iso 0 dist 7.55264 10.4337 8.88938 14.9982 9.16515 13.4321 12.8117 5.77929 9.01548 6.55597 numMergedOcc 0
34 mol 25 unq 23 iso 0 dist 7.55264 10.4337 8.88938 14.1251 9.82987 9.66912 12.8117 5.77929 9.01548 7.07751 numMergedOcc 0
35 mol 25 unq 24 iso 0 dist 7.55264 10.4337 8.88938 5.68041 6.53269 5.38592 7.17969 6.08585 13.8469 9.48085 numMergedOcc 0
36 mol 25 unq 25 iso 0 dist 7.55264 10.4337 8.88938 5.68041 6.53269 5.38592 12.8117 5.77929 9.01548 9.49421 numMergedOcc 0
37 mol 73 unq 0 iso 0 dist 9.24757 6.29906 8.87464 6.20232 8.96616 5.29727 6.19304 6.56633 10.2755 8.68662 numMergedOcc 0
38 mol 73 unq 1 iso 0 dist 9.24757 6.29906 8.87464 5.70116 6.14542 3.85385 9.96396 5.11416 12.1382 9.73086 numMergedOcc 0
39 mol 73 unq 2 iso 0 dist 9.24757 6.29906 8.87464 5.70116 6.14542 3.85385 6.19304 6.56633 10.2755 7.4369 numMergedOcc 0
40 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 6.95017 8.93769 11.9597 13.2315 10.9681 10.2298 7.13008 numMergedOcc 0
41 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 17.4071 16.4267 12.5931 9.64383 numMergedOcc 0
42 mol 98 unq 1 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 6.10456 9.67482 4.47349 7.54889 numMergedOcc 0
43 mol 98 unq 2 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 10.1136 12.0974 5.65185 7.78931 numMergedOcc 0
44 mol 98 unq 3 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 5.08437 4.4057 6.7117 5.10496 numMergedOcc 0
45 mol 98 unq 4 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 6.48948 7.42446 9.42961 5.92242 numMergedOcc 0
46 mol 98 unq 5 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 6.10456 9.67482 4.47349 5.2571 numMergedOcc 0
47 mol 98 unq 6 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 10.1136 12.0974 5.65185 8.7497 numMergedOcc 0
48 mol 100 unq 0 iso 0 dist 7.01812 10.6848 9.5057 4.03277 6.59691 12.48 9.60661 5.80144 14.8081 8.91882 numMergedOcc 0
49 mol 100 unq 1 iso 0 dist 7.01812 10.6848 9.5057 4.03277 6.59691 12.48 10.1489 5.42531 7.80975 9.21662 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 8.30845 15.3454 9.5057 6.23008 6.59691 12.48 6.65086 5.80144 14.8081 8.91882 numMergedOcc 0
51 mol 100 unq 3 iso 0 dist 8.30845 15.3454 9.5057 6.23008 6.59691 12.48 13.2001 5.42531 7.80975 9.21662 numMergedOcc 0
52 mol 133 unq 0 iso 0 dist 6.16242 12.131 8.95662 13.0405 8.83732 6.24625 6.29155 4.54648 10.9581 8.77023 numMergedOcc 0
53 mol 133 unq 1 iso 0 dist 5.87634 14.8102 8.95662 13.7612 8.83732 6.24625 6.80239 4.54648 10.9581 8.77023 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 7.69991 7.41674 6.40575 12.847 9.0176 15.0575 13.8307 7.1797 10.8985 9.66543 numMergedOcc 0
55 mol 134 unq 1 iso 0 dist 7.69991 7.41674 6.40575 12.847 9.0176 15.0575 11.9139 4.57832 10.5252 7.21868 numMergedOcc 0
56 mol 134 unq 2 iso 0 dist 7.69991 7.41674 6.40575 12.847 9.0176 15.0575 9.5126 5.29786 10.7586 7.93372 numMergedOcc 0
57 mol 134 unq 3 iso 0 dist 6.23142 9.87376 6.40575 8.06642 9.0176 15.0575 11.7385 7.1797 10.8985 9.66543 numMergedOcc 0
58 mol 134 unq 4 iso 0 dist 6.23142 9.87376 6.40575 8.06642 9.0176 15.0575 8.94367 4.57832 10.5252 7.21868 numMergedOcc 0
59 mol 134 unq 5 iso 0 dist 6.23142 9.87376 6.40575 8.06642 9.0176 15.0575 6.37586 5.29786 10.7586 7.93372 numMergedOcc 0
60 mol 134 unq 6 iso 0 dist 9.94764 14.9876 6.40575 4.00092 9.0176 15.0575 11.3835 7.1797 10.8985 9.66543 numMergedOcc 0
61 mol 134 unq 7 iso 0 dist 9.94764 14.9876 6.40575 4.00092 9.0176 15.0575 9.86662 4.57832 10.5252 7.21868 numMergedOcc 0
62 mol 134 unq 8 iso 0 dist 9.94764 14.9876 6.40575 4.00092 9.0176 15.0575 9.71307 5.29786 10.7586 7.93372 numMergedOcc 0
63 mol 181 unq 0 iso 0 dist 6.46704 7.81713 7.32087 6.50233 7.35884 6.39406 8.03334 4.43096 6.2479 9.76212 numMergedOcc 0
64 mol 181 unq 1 iso 0 dist 6.46704 7.81713 7.32087 6.50233 7.35884 6.39406 10.9639 6.06566 6.22122 8.59874 numMergedOcc 0
65 mol 181 unq 2 iso 0 dist 5.9176 6.29863 7.22883 10.6474 8.12266 14.2282 7.63312 5.63555 11.9764 6.64173 numMergedOcc 0
66 mol 181 unq 3 iso 0 dist 5.9176 6.29863 7.22883 5.12833 9.43306 10.273 7.63312 5.63555 11.9764 9.55105 numMergedOcc 0
67 mol 232 unq 0 iso 0 dist 8.50102 6.2188 9.78181 9.74344 9.9183 14.876 10.5803 4.9377 13.7227 6.71524 numMergedOcc 0
68 mol 232 unq 1 iso 0 dist 8.50102 12.3508 9.8664 9.74344 9.9183 11.2243 10.5803 4.9377 9.05071 6.71524 numMergedOcc 0
69 mol 232 unq 2 iso 0 dist 9.40808 12.5452 9.78181 5.10213 9.9183 14.876 8.27212 4.9377 13.7227 6.71524 numMergedOcc 0
70 mol 232 unq 3 iso 0 dist 9.40808 8.80479 9.8664 5.10213 9.9183 11.2243 8.27212 4.9377 9.05071 6.71524 numMergedOcc 0
71 mol 273 unq 0 iso 0 dist 8.83865 12.0136 7.16346 8.56043 6.35532 3.78984 13.3579 4.60101 8.49177 9.59325 numMergedOcc 0
72 mol 273 unq 1 iso 0 dist 9.18157 12.1851 7.16346 8.81454 6.35532 3.78984 13.4294 4.60101 8.49177 9.59325 numMergedOcc 0
73 mol 274 unq 0 iso 0 dist 7.46394 11.1602 7.75216 5.22914 7.77765 13.9324 12.3938 9.5468 13.9123 9.30212 numMergedOcc 0
74 mol 274 unq 1 iso 0 dist 7.46394 11.1602 7.75216 14.7507 9.65868 10.7442 12.3938 9.5468 13.9123 6.4611 numMergedOcc 0
75 mol 274 unq 2 iso 0 dist 9.45514 6.52035 7.75216 12.393 7.77765 13.9324 10.7806 9.5468 13.9123 9.30212 numMergedOcc 0
76 mol 274 unq 3 iso 0 dist 9.45514 6.52035 7.75216 8.87855 9.65868 10.7442 10.7806 9.5468 13.9123 6.4611 numMergedOcc 0
77 mol 274 unq 4 iso 0 dist 8.91672 5.58338 7.75216 16.5034 7.77765 13.9324 16.3286 9.5468 13.9123 9.30212 numMergedOcc 0
78 mol 274 unq 5 iso 0 dist 8.91672 5.58338 7.75216 12.5615 9.65868 10.7442 16.3286 9.5468 13.9123 6.4611 numMergedOcc 0
79 mol 274 unq 6 iso 0 dist 7.1729 5.71192 7.75216 10.2884 7.77765 13.9324 13.5896 9.5468 13.9123 9.30212 numMergedOcc 0
80 mol 274 unq 7 iso 0 dist 7.1729 5.71192 7.75216 13.0867 9.65868 10.7442 13.5896 9.5468 13.9123 6.4611 numMergedOcc 0
81 mol 274 unq 8 iso 0 dist 8.52587 6.20558 6.88827 16.9539 8.60027 13.3632 13.9359 6.70925 12.2077 6.4611 numMergedOcc 0
82 mol 274 unq 9 iso 0 dist 8.52587 16.3619 9.16942 16.9539 8.60027 5.39432 13.9359 6.70925 10.5387 6.4611 numMergedOcc 0
83 mol 274 unq 10 iso 0 dist 6.39866 6.16703 6.88827 8.87855 8.60027 13.3632 10.7806 6.70925 12.2077 6.4611 numMergedOcc 0
84 mol 274 unq 11 iso 0 dist 6.39866 5.64601 9.16942 8.87855 8.60027 5.39432 10.7806 6.70925 10.5387 6.4611 numMergedOcc 0
