0 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 4.29582 7.07399 6.03257 9.84471 5.49251 5.20798 6.23015 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.97507 7.48342 12.1303 4.29582 11.7302 6.03257 9.84471 13.7602 5.20798 6.23015 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 6.41575 4.64838 9.74255 8.40416 9.95212 13.0732 10.4416 9.79414 8.54034 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 4.54938 6.41575 4.97119 9.74255 7.75618 9.95212 13.0732 8.7083 9.79414 8.54034 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 7.82074 6.41575 6.01808 9.74255 12.3215 9.95212 13.0732 9.741 9.79414 8.54034 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.51865 6.41423 4.64838 7.08342 8.40416 9.95212 12.2354 10.4416 9.79414 8.54034 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 6.864 6.41423 4.97119 7.08342 7.75618 9.95212 12.2354 8.7083 9.79414 8.54034 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 10.2862 9.88364 5.70626 9.85784 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 11.825 9.78753 5.62738 9.87996 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 10.2862 9.88364 11.076 9.85784 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 11.825 9.78753 9.68535 9.87996 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 10.2862 9.88364 14.6305 9.85784 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 11.825 9.78753 14.3224 9.87996 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 17.6792 17.5858 12.5545 9.73647 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 12.5088 8.91183 4.08755 7.26334 numMergedOcc 0
15 mol 24 unq 8 iso 0 dist 6.86014 9.41441 6.66749 12.2662 12.2059 5.95834 15.4457 13.0212 6.86136 5.78532 numMergedOcc 0
16 mol 24 unq 9 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 12.5088 8.91183 4.08755 6.19899 numMergedOcc 0
17 mol 24 unq 10 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 15.4457 13.0212 6.86136 8.49709 numMergedOcc 0
18 mol 24 unq 11 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 12.5088 8.91183 4.08755 6.61696 numMergedOcc 0
19 mol 24 unq 12 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 7.95042 5.69214 10.0453 5.80953 numMergedOcc 0
20 mol 24 unq 13 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 18.188 9.88364 14.6305 9.85784 numMergedOcc 0
21 mol 24 unq 14 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 18.4146 9.78753 14.3224 9.87996 numMergedOcc 0
22 mol 24 unq 15 iso 0 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 17.6792 18.6847 12.5545 9.73647 numMergedOcc 0
23 mol 24 unq 16 iso 0 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 12.5088 14.8647 4.08755 7.26334 numMergedOcc 0
24 mol 24 unq 17 iso 0 dist 8.86116 9.41441 14.012 12.2662 17.592 5.95834 15.4457 20.7962 6.86136 5.78532 numMergedOcc 0
25 mol 24 unq 18 iso 0 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 12.5088 14.8647 4.08755 6.19899 numMergedOcc 0
26 mol 24 unq 19 iso 0 dist 8.86116 9.41441 14.012 8.67951 13.4393 4.2121 15.4457 20.7962 6.86136 8.49709 numMergedOcc 0
27 mol 24 unq 20 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 12.5088 14.8647 4.08755 6.61696 numMergedOcc 0
28 mol 24 unq 21 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 7.95042 5.11636 10.0453 5.80953 numMergedOcc 0
29 mol 24 unq 22 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 18.188 15.4473 14.6305 9.85784 numMergedOcc 0
30 mol 24 unq 23 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 18.4146 14.8143 14.3224 9.87996 numMergedOcc 0
31 mol 24 unq 24 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 20.8425 15.4313 14.6305 9.85784 numMergedOcc 0
32 mol 24 unq 25 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 19.3627 14.1829 14.3224 9.87996 numMergedOcc 0
33 mol 24 unq 26 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 6.6219 4.82629 12.5545 9.73647 numMergedOcc 0
34 mol 24 unq 27 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 5.68215 10.1698 4.08755 7.26334 numMergedOcc 0
35 mol 24 unq 28 iso 0 dist 5.54419 6.73939 12.176 6.56748 11.3566 5.95834 10.4441 15.2259 6.86136 5.78532 numMergedOcc 0
36 mol 24 unq 29 iso 0 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 5.68215 10.1698 4.08755 6.19899 numMergedOcc 0
37 mol 24 unq 30 iso 0 dist 5.54419 6.73939 12.176 4.50066 9.83002 4.2121 10.4441 15.2259 6.86136 8.49709 numMergedOcc 0
38 mol 24 unq 31 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 5.68215 10.1698 4.08755 6.61696 numMergedOcc 0
39 mol 24 unq 32 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 10.9113 13.6174 10.0453 5.80953 numMergedOcc 0
40 mol 24 unq 33 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 20.8425 26.5457 14.6305 9.85784 numMergedOcc 0
41 mol 24 unq 34 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 19.3627 24.962 14.3224 9.87996 numMergedOcc 0
42 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 6.55597 4.69295 4.98822 9.16515 numMergedOcc 0
43 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 7.07751 8.79309 7.91914 9.82987 numMergedOcc 0
44 mol 25 unq 2 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 11.008 14.9206 10.9145 9.40732 numMergedOcc 0
45 mol 25 unq 3 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 9.49421 13.6145 9.62058 6.53269 numMergedOcc 0
46 mol 25 unq 4 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 6.55597 4.69295 13.4321 9.16515 numMergedOcc 0
47 mol 25 unq 5 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 7.07751 8.79309 9.66912 9.82987 numMergedOcc 0
48 mol 25 unq 6 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 11.008 14.9206 5.86134 9.40732 numMergedOcc 0
49 mol 25 unq 7 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 9.49421 13.6145 5.38592 6.53269 numMergedOcc 0
50 mol 25 unq 8 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 7.05196 6.47509 3.904 5.20109 numMergedOcc 0
51 mol 25 unq 9 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 11.037 13.2447 4.98822 9.16515 numMergedOcc 0
52 mol 25 unq 10 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 13.0315 11.8139 7.91914 9.82987 numMergedOcc 0
53 mol 25 unq 11 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 11.971 6.28979 10.9145 9.40732 numMergedOcc 0
54 mol 25 unq 12 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 9.48085 5.18617 9.62058 6.53269 numMergedOcc 0
55 mol 25 unq 13 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 10.9703 5.63212 3.904 5.20109 numMergedOcc 0
56 mol 25 unq 14 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 11.037 14.9982 4.98822 9.16515 numMergedOcc 0
57 mol 25 unq 15 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 13.0315 14.1251 7.91914 9.82987 numMergedOcc 0
58 mol 25 unq 16 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 11.971 8.41421 10.9145 9.40732 numMergedOcc 0
59 mol 25 unq 17 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 9.48085 5.68041 9.62058 6.53269 numMergedOcc 0
60 mol 25 unq 18 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 10.3338 5.63212 3.904 5.20109 numMergedOcc 0
61 mol 60 unq 0 iso 0 dist 8.7531 9.90939 7.04075 5.94827 11.816 8.97364 8.4312 8.62476 5.85676 6.63448 numMergedOcc 0
62 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 7.94178 11.3043 7.36769 9.81956 10.4782 3.92737 9.25444 numMergedOcc 0
63 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 7.94178 11.3043 7.36769 5.10496 3.9764 3.94967 9.84703 numMergedOcc 0
64 mol 98 unq 2 iso 0 dist 5.08437 6.7117 7.06961 4.4057 6.65501 6.88901 9.81956 10.4782 3.92737 8.46823 numMergedOcc 0
65 mol 98 unq 3 iso 0 dist 5.08437 6.7117 7.06961 4.4057 6.65501 6.88901 5.10496 3.9764 3.94967 4.62494 numMergedOcc 0
66 mol 98 unq 4 iso 0 dist 6.10456 4.47349 7.06961 9.85543 11.3043 7.36769 7.54889 10.4782 3.92737 9.25444 numMergedOcc 0
67 mol 98 unq 5 iso 0 dist 6.10456 4.47349 7.06961 9.85543 11.3043 7.36769 5.2571 3.9764 3.94967 9.84703 numMergedOcc 0
68 mol 98 unq 6 iso 0 dist 6.10456 4.47349 7.06961 9.67482 6.65501 6.88901 7.54889 10.4782 3.92737 8.46823 numMergedOcc 0
69 mol 98 unq 7 iso 0 dist 6.10456 4.47349 7.06961 9.67482 6.65501 6.88901 5.2571 3.9764 3.94967 4.62494 numMergedOcc 0
70 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 5.42531 10.9242 9.5057 9.21662 9.39125 12.48 6.59691 numMergedOcc 0
71 mol 100 unq 1 iso 0 dist 7.17106 7.10378 10.6848 8.4128 7.01812 9.5057 10.5432 4.03277 12.48 6.59691 numMergedOcc 0
72 mol 129 unq 0 iso 0 dist 9.61051 6.28565 6.30169 7.29399 13.4182 7.59327 11.8464 10.7104 8.3321 9.35533 numMergedOcc 0
73 mol 129 unq 1 iso 0 dist 5.83384 6.28565 4.55551 7.29399 4.97175 7.59327 11.8464 6.16616 8.3321 9.35533 numMergedOcc 0
74 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 13.0242 12.847 15.0575 9.0176 numMergedOcc 0
75 mol 134 unq 1 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 11.988 12.847 15.0575 9.0176 numMergedOcc 0
76 mol 134 unq 2 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 11.988 8.06642 15.0575 9.0176 numMergedOcc 0
77 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 4.43096 12.4878 7.32087 10.0802 11.1802 5.3698 9.06571 numMergedOcc 0
78 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 4.43096 12.4878 7.32087 9.76212 12.9532 6.39406 7.35884 numMergedOcc 0
79 mol 181 unq 2 iso 0 dist 9.1374 6.2479 6.6251 8.04639 10.6908 8.86197 10.0802 11.1802 5.3698 9.88897 numMergedOcc 0
80 mol 181 unq 3 iso 0 dist 8.03334 6.2479 7.81713 4.43096 6.46704 7.32087 10.0802 6.28125 5.3698 9.06571 numMergedOcc 0
81 mol 181 unq 4 iso 0 dist 8.03334 6.2479 7.81713 4.43096 6.46704 7.32087 9.76212 6.50233 6.39406 7.35884 numMergedOcc 0
82 mol 181 unq 5 iso 0 dist 8.03334 6.2479 7.81713 8.04639 6.59025 8.86197 10.0802 6.28125 5.3698 9.88897 numMergedOcc 0
83 mol 181 unq 6 iso 0 dist 5.98885 9.72611 5.6044 12.7358 11.602 7.22883 18.76 18.6323 14.2282 8.12266 numMergedOcc 0
84 mol 181 unq 7 iso 0 dist 5.98885 9.72611 5.6044 12.7358 11.602 7.22883 18.6809 15.5349 10.273 9.43306 numMergedOcc 0
85 mol 181 unq 8 iso 0 dist 5.98885 9.72611 5.6044 12.7358 11.602 7.22883 13.7845 9.83826 5.14966 8.59681 numMergedOcc 0
86 mol 181 unq 9 iso 0 dist 5.98885 7.99195 6.6251 12.2164 12.4878 7.32087 10.9279 11.1802 5.3698 9.06571 numMergedOcc 0
87 mol 181 unq 10 iso 0 dist 5.98885 7.99195 6.6251 12.2164 12.4878 7.32087 13.2783 12.9532 6.39406 7.35884 numMergedOcc 0
88 mol 181 unq 11 iso 0 dist 5.98885 7.99195 6.6251 5.77299 10.6908 8.86197 10.9279 11.1802 5.3698 9.88897 numMergedOcc 0
89 mol 181 unq 12 iso 0 dist 9.09537 9.72611 12.9468 12.7358 14.8662 7.22883 18.76 22.2993 14.2282 8.12266 numMergedOcc 0
90 mol 181 unq 13 iso 0 dist 9.09537 9.72611 12.9468 12.7358 14.8662 7.22883 18.6809 22.5438 10.273 9.43306 numMergedOcc 0
91 mol 181 unq 14 iso 0 dist 9.09537 9.72611 12.9468 12.7358 14.8662 7.22883 13.7845 18.0866 5.14966 8.59681 numMergedOcc 0
92 mol 181 unq 15 iso 0 dist 9.09537 7.99195 10.09 12.2164 16.4314 7.32087 10.9279 9.26625 5.3698 9.06571 numMergedOcc 0
93 mol 181 unq 16 iso 0 dist 9.09537 7.99195 10.09 12.2164 16.4314 7.32087 13.2783 12.7791 6.39406 7.35884 numMergedOcc 0
94 mol 181 unq 17 iso 0 dist 9.09537 7.99195 10.09 5.77299 11.3325 8.86197 10.9279 9.26625 5.3698 9.88897 numMergedOcc 0
95 mol 192 unq 0 iso 0 dist 5.59424 8.77999 8.49529 12.717 12.0486 6.60053 11.9951 8.78529 5.80651 9.40971 numMergedOcc 0
96 mol 192 unq 1 iso 0 dist 5.59424 8.77999 8.49529 14.8459 12.708 9.36796 11.9951 8.78529 5.80651 9.8428 numMergedOcc 0
97 mol 192 unq 2 iso 0 dist 7.00794 8.77999 11.7523 12.717 16.9245 6.60053 11.9951 11.8095 5.80651 9.40971 numMergedOcc 0
98 mol 192 unq 3 iso 0 dist 7.00794 8.77999 11.7523 14.8459 18.1003 9.36796 11.9951 11.8095 5.80651 9.8428 numMergedOcc 0
99 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 4.9377 9.40808 9.8664 6.71524 5.10213 11.2243 9.9183 numMergedOcc 0
100 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 8.80479 9.05071 9.8664 10.3021 5.42461 4.68548 6.59036 numMergedOcc 0
101 mol 273 unq 0 iso 0 dist 9.01049 8.49177 9.25493 4.60101 11.6152 7.16346 12.205 16.8173 8.43367 7.85836 numMergedOcc 0
102 mol 273 unq 1 iso 0 dist 9.01049 8.49177 9.25493 4.60101 11.6152 7.16346 9.59325 12.2939 3.78984 6.35532 numMergedOcc 0
103 mol 274 unq 0 iso 0 dist 7.56915 9.85289 6.20558 5.29529 8.52587 6.88827 12.8334 16.9539 13.3632 8.60027 numMergedOcc 0
104 mol 274 unq 1 iso 0 dist 8.49997 9.85289 11.4459 5.29529 11.6126 6.88827 12.8334 19.9648 13.3632 8.60027 numMergedOcc 0
