0 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 10.7734 13.8584 7.98326 4.10106 6.54358 6.859 9.74251 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 4.61088 5.96346 6.86684 9.62262 10.604 7.46578 4.10106 6.54358 6.859 6.56765 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 4.39605 7.48342 6.03257 5.49251 9.84471 6.23015 5.20798 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 4.97119 10.741 9.95212 8.7083 11.877 8.54034 9.79414 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 4.64838 6.41575 9.95212 10.4416 13.0732 8.54034 9.79414 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 4.54938 7.75618 9.74255 4.97119 6.41575 9.95212 8.7083 13.0732 8.54034 9.79414 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.51865 8.40416 7.08342 4.64838 6.41423 9.95212 10.4416 12.2354 8.54034 9.79414 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 6.864 7.75618 7.08342 4.97119 6.41423 9.95212 8.7083 12.2354 8.54034 9.79414 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 8.91183 12.5088 6.19899 4.08755 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 13.0212 15.4457 8.49709 6.86136 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 8.91183 12.5088 6.61696 4.08755 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 5.69214 7.95042 5.80953 10.0453 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 9.88364 10.2862 9.85784 5.70626 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 9.78753 11.825 9.87996 5.62738 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 9.88364 10.2862 9.85784 11.6859 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 9.78753 11.825 9.87996 9.80106 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 9.88364 10.2862 9.85784 11.076 numMergedOcc 0
17 mol 24 unq 9 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 9.78753 11.825 9.87996 9.68535 numMergedOcc 0
18 mol 24 unq 10 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 9.88364 10.2862 9.85784 14.6305 numMergedOcc 0
19 mol 24 unq 11 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 9.78753 11.825 9.87996 14.3224 numMergedOcc 0
20 mol 24 unq 12 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 14.8647 12.5088 6.61696 4.08755 numMergedOcc 0
21 mol 24 unq 13 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 5.11636 7.95042 5.80953 10.0453 numMergedOcc 0
22 mol 24 unq 14 iso 0 dist 8.86116 9.41441 14.012 4.32034 12.9284 8.00171 9.88364 18.188 9.85784 5.70626 numMergedOcc 0
23 mol 24 unq 15 iso 0 dist 8.86116 9.41441 14.012 4.32034 12.9284 8.00171 9.78753 18.4146 9.87996 5.62738 numMergedOcc 0
24 mol 24 unq 16 iso 0 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 9.88364 18.188 9.85784 11.6859 numMergedOcc 0
25 mol 24 unq 17 iso 0 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 9.78753 18.4146 9.87996 9.80106 numMergedOcc 0
26 mol 24 unq 18 iso 0 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 9.88364 18.188 9.85784 11.076 numMergedOcc 0
27 mol 24 unq 19 iso 0 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 9.78753 18.4146 9.87996 9.68535 numMergedOcc 0
28 mol 24 unq 20 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 9.88364 18.188 9.85784 14.6305 numMergedOcc 0
29 mol 24 unq 21 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 9.78753 18.4146 9.87996 14.3224 numMergedOcc 0
30 mol 24 unq 22 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 14.8647 17.9146 6.61696 4.08755 numMergedOcc 0
31 mol 24 unq 23 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 5.11636 10.9819 5.80953 10.0453 numMergedOcc 0
32 mol 24 unq 24 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 10.1698 5.68215 6.61696 4.08755 numMergedOcc 0
33 mol 24 unq 25 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 13.6174 10.9113 5.80953 10.0453 numMergedOcc 0
34 mol 24 unq 26 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 15.4313 20.8425 9.85784 11.6859 numMergedOcc 0
35 mol 24 unq 27 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 14.1829 19.3627 9.87996 9.80106 numMergedOcc 0
36 mol 24 unq 28 iso 0 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 15.4313 20.8425 9.85784 11.076 numMergedOcc 0
37 mol 24 unq 29 iso 0 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 14.1829 19.3627 9.87996 9.68535 numMergedOcc 0
38 mol 24 unq 30 iso 0 dist 5.54419 6.73939 12.176 11.9112 16.8439 8.00171 15.4313 20.8425 9.85784 5.70626 numMergedOcc 0
39 mol 24 unq 31 iso 0 dist 5.54419 6.73939 12.176 11.9112 16.8439 8.00171 14.1829 19.3627 9.87996 5.62738 numMergedOcc 0
40 mol 24 unq 32 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 15.4313 20.8425 9.85784 14.6305 numMergedOcc 0
41 mol 24 unq 33 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 14.1829 19.3627 9.87996 14.3224 numMergedOcc 0
42 mol 24 unq 34 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 10.1698 17.003 6.61696 4.08755 numMergedOcc 0
43 mol 24 unq 35 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 13.6174 16.707 5.80953 10.0453 numMergedOcc 0
44 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 6.47509 7.05196 5.20109 3.904 numMergedOcc 0
45 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 4.69295 6.55597 9.16515 4.98822 numMergedOcc 0
46 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 8.79309 7.07751 9.82987 7.91914 numMergedOcc 0
47 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 14.9206 11.008 9.40732 10.9145 numMergedOcc 0
48 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 13.6145 9.49421 6.53269 9.62058 numMergedOcc 0
49 mol 25 unq 5 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 4.69295 6.55597 9.16515 13.4321 numMergedOcc 0
50 mol 25 unq 6 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 8.79309 7.07751 9.82987 9.66912 numMergedOcc 0
51 mol 25 unq 7 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 14.9206 11.008 9.40732 5.86134 numMergedOcc 0
52 mol 25 unq 8 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 13.6145 9.49421 6.53269 5.38592 numMergedOcc 0
53 mol 25 unq 9 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 5.63212 10.9703 5.20109 3.904 numMergedOcc 0
54 mol 25 unq 10 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 13.2447 11.037 9.16515 4.98822 numMergedOcc 0
55 mol 25 unq 11 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 11.8139 13.0315 9.82987 7.91914 numMergedOcc 0
56 mol 25 unq 12 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 6.28979 11.971 9.40732 10.9145 numMergedOcc 0
57 mol 25 unq 13 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 5.18617 9.48085 6.53269 9.62058 numMergedOcc 0
58 mol 25 unq 14 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 13.2447 11.037 9.16515 13.4321 numMergedOcc 0
59 mol 25 unq 15 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 11.8139 13.0315 9.82987 9.66912 numMergedOcc 0
60 mol 25 unq 16 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 6.28979 11.971 9.40732 5.86134 numMergedOcc 0
61 mol 25 unq 17 iso 0 dist 7.57578 8.50222 6.08585 10.5328 13.8469 8.88938 5.18617 9.48085 6.53269 5.38592 numMergedOcc 0
62 mol 25 unq 18 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 5.63212 10.3338 5.20109 3.904 numMergedOcc 0
63 mol 25 unq 19 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 14.9982 11.037 9.16515 4.98822 numMergedOcc 0
64 mol 25 unq 20 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 14.1251 13.0315 9.82987 7.91914 numMergedOcc 0
65 mol 25 unq 21 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 8.41421 11.971 9.40732 10.9145 numMergedOcc 0
66 mol 25 unq 22 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 5.68041 9.48085 6.53269 9.62058 numMergedOcc 0
67 mol 25 unq 23 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 14.9982 11.037 9.16515 13.4321 numMergedOcc 0
68 mol 25 unq 24 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 14.1251 13.0315 9.82987 9.66912 numMergedOcc 0
69 mol 25 unq 25 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 8.41421 11.971 9.40732 5.86134 numMergedOcc 0
70 mol 25 unq 26 iso 0 dist 7.17969 7.55264 6.08585 10.4337 13.8469 8.88938 5.68041 9.48085 6.53269 5.38592 numMergedOcc 0
71 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 6.29906 12.1382 8.87464 6.20232 12.2276 8.96616 5.29727 numMergedOcc 0
72 mol 73 unq 1 iso 0 dist 9.96396 9.24757 5.11416 6.29906 12.1382 8.87464 5.70116 9.73086 6.14542 3.85385 numMergedOcc 0
73 mol 73 unq 2 iso 0 dist 6.19304 9.24757 6.56633 6.29906 10.2755 8.87464 6.20232 8.68662 8.96616 5.29727 numMergedOcc 0
74 mol 73 unq 3 iso 0 dist 6.19304 9.24757 6.56633 6.29906 10.2755 8.87464 5.70116 7.4369 6.14542 3.85385 numMergedOcc 0
75 mol 73 unq 4 iso 0 dist 8.70481 9.24757 15.3808 6.29906 10.8139 8.87464 6.20232 13.8931 8.96616 5.29727 numMergedOcc 0
76 mol 73 unq 5 iso 0 dist 8.70481 9.24757 15.3808 6.29906 10.8139 8.87464 5.70116 12.8207 6.14542 3.85385 numMergedOcc 0
77 mol 85 unq 0 iso 0 dist 7.97049 9.82915 9.29301 10.4987 14.4725 9.66222 11.9064 13.3997 5.05893 11.0952 numMergedOcc 0
78 mol 85 unq 1 iso 0 dist 7.97049 9.82915 9.29301 10.4987 14.4725 9.66222 14.7521 14.6517 5.71866 12.5181 numMergedOcc 0
79 mol 85 unq 2 iso 0 dist 7.47541 9.82915 13.5116 10.4987 17.5738 9.66222 11.9064 15.8175 5.05893 11.0952 numMergedOcc 0
80 mol 85 unq 3 iso 0 dist 7.47541 9.82915 13.5116 10.4987 17.5738 9.66222 14.7521 18.2645 5.71866 12.5181 numMergedOcc 0
81 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 10.4782 9.81956 8.46823 3.92737 numMergedOcc 0
82 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 3.9764 5.10496 4.62494 3.94967 numMergedOcc 0
83 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 10.4782 10.8223 8.46823 3.92737 numMergedOcc 0
84 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 3.9764 5.92242 4.62494 3.94967 numMergedOcc 0
85 mol 98 unq 4 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 10.4782 7.54889 8.46823 3.92737 numMergedOcc 0
86 mol 98 unq 5 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 3.9764 5.2571 4.62494 3.94967 numMergedOcc 0
87 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 10.6848 14.8081 9.5057 4.03277 8.91882 6.59691 12.48 numMergedOcc 0
88 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 4.03277 10.5432 6.59691 12.48 numMergedOcc 0
89 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 10.6848 15.2289 9.5057 4.03277 11.5088 6.59691 12.48 numMergedOcc 0
90 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 15.3454 21.075 9.5057 6.23008 9.76432 6.59691 12.48 numMergedOcc 0
91 mol 100 unq 4 iso 0 dist 6.65086 8.30845 5.80144 15.3454 14.8081 9.5057 6.23008 8.91882 6.59691 12.48 numMergedOcc 0
92 mol 100 unq 5 iso 0 dist 6.56369 8.30845 10.0456 15.3454 15.2289 9.5057 6.23008 11.5088 6.59691 12.48 numMergedOcc 0
93 mol 100 unq 6 iso 0 dist 9.30209 8.30845 6.70236 15.3454 12.6004 9.5057 6.23008 11.6812 6.59691 12.48 numMergedOcc 0
94 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 7.27193 11.9334 6.6317 13.9729 15.7535 9.30645 9.74974 numMergedOcc 0
95 mol 129 unq 0 iso 0 dist 5.83384 4.97175 7.29399 4.55551 6.28565 7.59327 6.16616 11.8464 9.35533 8.3321 numMergedOcc 0
96 mol 133 unq 0 iso 0 dist 6.29155 6.16242 4.54648 12.131 10.9581 8.95662 13.0405 8.77023 8.83732 6.24625 numMergedOcc 0
97 mol 133 unq 1 iso 0 dist 6.80239 5.87634 4.54648 14.8102 10.9581 8.95662 13.7612 8.77023 8.83732 6.24625 numMergedOcc 0
98 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 12.847 13.0242 9.0176 15.0575 numMergedOcc 0
99 mol 134 unq 1 iso 0 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 12.847 11.988 9.0176 15.0575 numMergedOcc 0
100 mol 134 unq 2 iso 0 dist 8.94367 6.23142 4.57832 9.87376 10.5252 6.40575 8.06642 7.21868 9.0176 15.0575 numMergedOcc 0
101 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 9.87376 10.7586 6.40575 8.06642 7.93372 9.0176 15.0575 numMergedOcc 0
102 mol 134 unq 4 iso 0 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 8.06642 11.988 9.0176 15.0575 numMergedOcc 0
103 mol 134 unq 5 iso 0 dist 9.86662 9.94764 4.57832 14.9876 10.5252 6.40575 4.00092 7.21868 9.0176 15.0575 numMergedOcc 0
104 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 14.9876 10.7586 6.40575 4.00092 7.93372 9.0176 15.0575 numMergedOcc 0
105 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 6.28125 10.0802 9.06571 5.3698 numMergedOcc 0
106 mol 181 unq 1 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 6.50233 9.76212 7.35884 6.39406 numMergedOcc 0
107 mol 181 unq 2 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 6.28125 10.0802 9.88897 5.3698 numMergedOcc 0
108 mol 181 unq 3 iso 0 dist 8.03334 6.59025 8.04639 7.16549 12.8648 5.94379 6.28125 10.0802 9.88897 9.56782 numMergedOcc 0
109 mol 181 unq 4 iso 0 dist 7.81386 5.94469 7.77758 9.69409 14.08 9.92471 5.42158 9.81178 8.06308 5.42414 numMergedOcc 0
110 mol 181 unq 5 iso 0 dist 7.63312 5.9176 5.63555 6.29863 11.9764 7.22883 10.6474 6.64173 8.12266 14.2282 numMergedOcc 0
111 mol 181 unq 6 iso 0 dist 7.63312 5.9176 5.63555 6.29863 11.9764 7.22883 5.12833 9.55105 9.43306 10.273 numMergedOcc 0
112 mol 181 unq 7 iso 0 dist 7.63312 5.9176 5.63555 6.29863 11.9764 7.22883 4.61184 11.7785 8.59681 5.14966 numMergedOcc 0
113 mol 181 unq 8 iso 0 dist 7.63312 5.94469 12.5387 9.69409 15.9489 9.92471 5.42158 10.6106 8.06308 5.42414 numMergedOcc 0
114 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 4.9377 9.40808 9.8664 5.42461 10.3021 6.59036 4.68548 numMergedOcc 0
115 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 12.5452 13.7227 9.78181 5.10213 6.71524 9.9183 14.876 numMergedOcc 0
116 mol 232 unq 2 iso 0 dist 8.27212 9.40808 4.9377 8.80479 9.05071 9.8664 5.10213 6.71524 9.9183 11.2243 numMergedOcc 0
117 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 6.20558 9.85289 6.88827 16.9539 12.8334 8.60027 13.3632 numMergedOcc 0
118 mol 274 unq 1 iso 0 dist 7.56915 8.52587 5.29529 16.3619 14.1515 9.16942 16.9539 12.8334 8.60027 5.39432 numMergedOcc 0
