0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 4.29582 7.07399 11.7302 7.48342 4.39605 12.1303 6.03257 9.84471 5.49251 13.7602 6.23015 5.20798 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 9.74255 8.40416 7.75618 6.41575 4.64838 4.97119 9.95212 13.0732 10.4416 8.7083 8.54034 9.79414 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 7.82074 10.3915 9.74255 8.40416 12.3215 6.41575 4.64838 6.01808 9.95212 13.0732 10.4416 9.741 8.54034 9.79414 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 8.4674 7.67038 9.74255 7.75618 8.40416 6.41575 4.97119 4.64838 9.95212 13.0732 8.7083 10.4416 8.54034 9.79414 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.54938 7.82074 5.03957 9.74255 7.75618 12.3215 6.41575 4.97119 6.01808 9.95212 13.0732 8.7083 9.741 8.54034 9.79414 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.51865 6.864 7.67038 7.08342 8.40416 7.75618 6.41423 4.64838 4.97119 9.95212 12.2354 10.4416 8.7083 8.54034 9.79414 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 6.864 4.51865 7.67038 7.08342 7.75618 8.40416 6.41423 4.97119 4.64838 9.95212 12.2354 8.7083 10.4416 8.54034 9.79414 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 9.41441 6.66749 14.012 4.2121 12.5088 8.91183 14.8647 6.19899 4.08755 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 9.41441 6.66749 14.012 4.2121 15.4457 13.0212 20.7962 8.49709 6.86136 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 9.41441 6.66749 14.012 6.72323 12.5088 8.91183 14.8647 6.61696 4.08755 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 9.41441 6.66749 14.012 6.72323 7.95042 5.69214 5.11636 5.80953 10.0453 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 12.9284 4.32034 10.1325 8.00171 18.188 9.88364 15.4473 9.85784 5.70626 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 12.9284 4.32034 10.1325 8.00171 18.4146 9.78753 14.8143 9.87996 5.62738 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 17.592 12.2662 17.3058 5.95834 18.188 9.88364 15.4473 9.85784 11.6859 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 17.592 12.2662 17.3058 5.95834 18.4146 9.78753 14.8143 9.87996 9.80106 numMergedOcc 0
15 mol 24 unq 8 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 13.4393 8.67951 13.6595 4.2121 18.188 9.88364 15.4473 9.85784 11.076 numMergedOcc 0
16 mol 24 unq 9 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 13.4393 8.67951 13.6595 4.2121 18.4146 9.78753 14.8143 9.87996 9.68535 numMergedOcc 0
17 mol 24 unq 10 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 8.60554 8.52463 12.3994 6.72323 18.188 9.88364 15.4473 9.85784 14.6305 numMergedOcc 0
18 mol 24 unq 11 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 8.60554 8.52463 12.3994 6.72323 18.4146 9.78753 14.8143 9.87996 14.3224 numMergedOcc 0
19 mol 24 unq 12 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 9.41441 14.012 6.66749 6.72323 12.5088 14.8647 8.91183 6.61696 4.08755 numMergedOcc 0
20 mol 24 unq 13 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 9.41441 14.012 6.66749 6.72323 7.95042 5.11636 5.69214 5.80953 10.0453 numMergedOcc 0
21 mol 24 unq 14 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 11.3566 6.56748 18.1606 5.95834 20.8425 15.4313 26.5457 9.85784 11.6859 numMergedOcc 0
22 mol 24 unq 15 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 11.3566 6.56748 18.1606 5.95834 19.3627 14.1829 24.962 9.87996 9.80106 numMergedOcc 0
23 mol 24 unq 16 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 9.83002 4.50066 16.0443 4.2121 20.8425 15.4313 26.5457 9.85784 11.076 numMergedOcc 0
24 mol 24 unq 17 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 9.83002 4.50066 16.0443 4.2121 19.3627 14.1829 24.962 9.87996 9.68535 numMergedOcc 0
25 mol 24 unq 18 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 16.8439 11.9112 21.6951 8.00171 20.8425 15.4313 26.5457 9.85784 5.70626 numMergedOcc 0
26 mol 24 unq 19 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 16.8439 11.9112 21.6951 8.00171 19.3627 14.1829 24.962 9.87996 5.62738 numMergedOcc 0
27 mol 24 unq 20 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 8.4051 5.11617 13.2229 6.72323 20.8425 15.4313 26.5457 9.85784 14.6305 numMergedOcc 0
28 mol 24 unq 21 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 8.4051 5.11617 13.2229 6.72323 19.3627 14.1829 24.962 9.87996 14.3224 numMergedOcc 0
29 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 6.16347 9.34396 10.8498 6.25843 11.037 13.2447 14.9982 9.16515 4.98822 numMergedOcc 0
30 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 6.16347 9.34396 10.8498 6.25843 13.0315 11.8139 14.1251 9.82987 7.91914 numMergedOcc 0
31 mol 25 unq 2 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 6.16347 9.34396 10.8498 6.25843 11.971 6.28979 8.41421 9.40732 10.9145 numMergedOcc 0
32 mol 25 unq 3 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 6.16347 9.34396 10.8498 6.25843 9.48085 5.18617 5.68041 6.53269 9.62058 numMergedOcc 0
33 mol 25 unq 4 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 13.8469 10.5328 10.4337 8.88938 11.037 13.2447 14.9982 9.16515 13.4321 numMergedOcc 0
34 mol 25 unq 5 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 13.8469 10.5328 10.4337 8.88938 13.0315 11.8139 14.1251 9.82987 9.66912 numMergedOcc 0
35 mol 25 unq 6 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 13.8469 10.5328 10.4337 8.88938 11.971 6.28979 8.41421 9.40732 5.86134 numMergedOcc 0
36 mol 25 unq 7 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 13.8469 10.5328 10.4337 8.88938 9.48085 5.18617 5.68041 6.53269 5.38592 numMergedOcc 0
37 mol 25 unq 8 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 6.16347 10.8498 9.34396 6.25843 11.037 14.9982 13.2447 9.16515 4.98822 numMergedOcc 0
38 mol 25 unq 9 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 6.16347 10.8498 9.34396 6.25843 13.0315 14.1251 11.8139 9.82987 7.91914 numMergedOcc 0
39 mol 25 unq 10 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 6.16347 10.8498 9.34396 6.25843 11.971 8.41421 6.28979 9.40732 10.9145 numMergedOcc 0
40 mol 25 unq 11 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 6.16347 10.8498 9.34396 6.25843 9.48085 5.68041 5.18617 6.53269 9.62058 numMergedOcc 0
41 mol 25 unq 12 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 13.8469 10.4337 10.5328 8.88938 11.037 14.9982 13.2447 9.16515 13.4321 numMergedOcc 0
42 mol 25 unq 13 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 13.8469 10.4337 10.5328 8.88938 13.0315 14.1251 11.8139 9.82987 9.66912 numMergedOcc 0
43 mol 25 unq 14 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 13.8469 10.4337 10.5328 8.88938 11.971 8.41421 6.28979 9.40732 5.86134 numMergedOcc 0
44 mol 25 unq 15 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 13.8469 10.4337 10.5328 8.88938 9.48085 5.68041 5.18617 6.53269 5.38592 numMergedOcc 0
45 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 5.11416 9.24757 13.8696 12.1382 6.29906 20.1729 8.87464 12.2276 6.20232 18.7673 8.96616 5.29727 numMergedOcc 0
46 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 5.11416 9.24757 13.8696 12.1382 6.29906 20.1729 8.87464 9.73086 5.70116 17.4121 6.14542 3.85385 numMergedOcc 0
47 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 5.11416 9.24757 13.0145 12.1382 6.29906 14.8598 8.87464 12.2276 6.20232 17.2422 8.96616 5.29727 numMergedOcc 0
48 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 5.11416 9.24757 13.0145 12.1382 6.29906 14.8598 8.87464 9.73086 5.70116 14.844 6.14542 3.85385 numMergedOcc 0
49 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 14.4725 10.4987 12.568 9.66222 13.3997 11.9064 15.6263 5.05893 11.0952 numMergedOcc 0
50 mol 85 unq 1 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 14.4725 10.4987 12.568 9.66222 14.6517 14.7521 17.6445 5.71866 12.5181 numMergedOcc 0
51 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 17.5738 10.4987 12.568 9.66222 15.8175 11.9064 15.6263 5.05893 11.0952 numMergedOcc 0
52 mol 85 unq 3 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 17.5738 10.4987 12.568 9.66222 18.2645 14.7521 17.6445 5.71866 12.5181 numMergedOcc 0
53 mol 85 unq 4 iso 0 dist 7.47541 5.73196 6.87425 13.5116 9.82915 14.4382 17.5738 10.4987 16.8261 9.66222 15.8175 11.9064 15.1278 5.05893 11.0952 numMergedOcc 0
54 mol 85 unq 5 iso 0 dist 7.47541 5.73196 6.87425 13.5116 9.82915 14.4382 17.5738 10.4987 16.8261 9.66222 18.2645 14.7521 18.3973 5.71866 12.5181 numMergedOcc 0
55 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 5.80144 7.01812 8.30845 14.8081 10.6848 15.3454 9.5057 8.91882 4.03277 6.23008 6.59691 12.48 numMergedOcc 0
56 mol 100 unq 1 iso 0 dist 9.35224 6.56369 5.88134 10.0456 7.01812 8.30845 15.2289 10.6848 15.3454 9.5057 11.5088 4.03277 6.23008 6.59691 12.48 numMergedOcc 0
57 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 12.2861 8.30845 10.6086 21.075 15.3454 17.331 9.5057 9.76432 6.23008 5.16579 6.59691 12.48 numMergedOcc 0
58 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 12.2861 8.30845 18.1777 21.075 15.3454 25.2259 9.5057 9.76432 6.23008 14.4607 6.59691 12.48 numMergedOcc 0
59 mol 100 unq 4 iso 0 dist 6.65086 9.60661 5.88134 5.80144 8.30845 7.01812 14.8081 15.3454 10.6848 9.5057 8.91882 6.23008 4.03277 6.59691 12.48 numMergedOcc 0
60 mol 100 unq 5 iso 0 dist 6.56369 9.35224 5.88134 10.0456 8.30845 7.01812 15.2289 15.3454 10.6848 9.5057 11.5088 6.23008 4.03277 6.59691 12.48 numMergedOcc 0
61 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 7.29399 4.97175 13.4182 6.28565 4.55551 6.30169 7.59327 11.8464 6.16616 10.7104 9.35533 8.3321 numMergedOcc 0
62 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 4.54648 6.16242 5.87634 10.9581 12.131 14.8102 8.95662 8.77023 13.0405 13.7612 8.83732 6.24625 numMergedOcc 0
63 mol 133 unq 1 iso 0 dist 6.29155 8.00618 11.965 4.54648 6.16242 10.9061 10.9581 12.131 18.5594 8.95662 8.77023 13.0405 15.0115 8.83732 6.24625 numMergedOcc 0
64 mol 133 unq 2 iso 0 dist 6.80239 6.29155 7.81217 4.54648 5.87634 6.16242 10.9581 14.8102 12.131 8.95662 8.77023 13.7612 13.0405 8.83732 6.24625 numMergedOcc 0
65 mol 133 unq 3 iso 0 dist 6.80239 8.00618 7.79672 4.54648 5.87634 10.9061 10.9581 14.8102 18.5594 8.95662 8.77023 13.7612 15.0115 8.83732 6.24625 numMergedOcc 0
66 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.71679 7.69991 6.23142 7.80532 7.41674 9.87376 6.40575 11.988 12.847 8.06642 9.0176 15.0575 numMergedOcc 0
67 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 10.5252 9.87376 14.9876 6.40575 7.21868 8.06642 4.00092 9.0176 15.0575 numMergedOcc 0
68 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 10.7586 9.87376 14.9876 6.40575 7.93372 8.06642 4.00092 9.0176 15.0575 numMergedOcc 0
69 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 5.71679 6.23142 7.69991 7.80532 9.87376 7.41674 6.40575 11.988 8.06642 12.847 9.0176 15.0575 numMergedOcc 0
70 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 4.57832 9.94764 6.23142 10.5252 14.9876 9.87376 6.40575 7.21868 4.00092 8.06642 9.0176 15.0575 numMergedOcc 0
71 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 5.29786 9.94764 6.23142 10.7586 14.9876 9.87376 6.40575 7.93372 4.00092 8.06642 9.0176 15.0575 numMergedOcc 0
72 mol 181 unq 0 iso 0 dist 8.03334 9.1374 13.2049 4.43096 6.46704 12.4878 6.2479 7.81713 6.6251 7.32087 10.0802 6.28125 11.1802 9.06571 5.3698 numMergedOcc 0
73 mol 181 unq 1 iso 0 dist 8.03334 9.1374 13.2049 4.43096 6.46704 12.4878 6.2479 7.81713 6.6251 7.32087 9.76212 6.50233 12.9532 7.35884 6.39406 numMergedOcc 0
74 mol 181 unq 2 iso 0 dist 8.03334 9.1374 13.2049 8.04639 6.59025 10.6908 6.2479 7.81713 6.6251 8.86197 10.0802 6.28125 11.1802 9.88897 5.3698 numMergedOcc 0
75 mol 181 unq 3 iso 0 dist 8.03334 9.1374 13.2049 8.04639 6.59025 10.6908 12.8648 7.16549 14.4891 5.94379 10.0802 6.28125 11.1802 9.88897 9.56782 numMergedOcc 0
76 mol 181 unq 4 iso 0 dist 7.63312 7.81386 8.85576 5.63555 5.9176 10.4943 11.9764 6.29863 14.4964 7.22883 6.64173 10.6474 6.8757 8.12266 14.2282 numMergedOcc 0
77 mol 181 unq 5 iso 0 dist 7.63312 7.81386 8.85576 5.63555 5.9176 10.4943 11.9764 6.29863 14.4964 7.22883 9.55105 5.12833 5.83796 9.43306 10.273 numMergedOcc 0
78 mol 181 unq 6 iso 0 dist 7.63312 7.81386 8.85576 5.63555 5.9176 10.4943 11.9764 6.29863 14.4964 7.22883 11.7785 4.61184 11.3203 8.59681 5.14966 numMergedOcc 0
79 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 5.29529 8.52587 11.6126 9.85289 6.20558 11.4459 6.88827 12.8334 16.9539 19.9648 8.60027 13.3632 numMergedOcc 0
80 mol 274 unq 1 iso 0 dist 7.56915 8.49997 6.33073 5.29529 8.52587 11.6126 14.1515 16.3619 19.3878 9.16942 12.8334 16.9539 19.9648 8.60027 5.39432 numMergedOcc 0
