0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 6.55304 6.7985 6.14469 11.8172 11.0773 8.72114 6.34041 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60499 6.02702 8.43473 12.2869 6.44736 9.97009 11.8172 11.0773 8.72114 6.61022 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.60499 6.7985 6.55304 8.43473 6.02702 6.14469 9.0379 10.6581 9.68596 5.03847 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.41585 5.99972 12.0193 14.7759 9.68596 14.5216 5.13353 11.659 9.68006 19.4743 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 8.41585 9.68596 14.7759 12.0193 5.99972 14.5216 9.0379 16.7601 6.7985 18.7239 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 4.29582 7.07399 6.03257 11.7498 10.6338 6.42748 10.1154 numMergedOcc 0
6 mol 15 unq 1 iso 0 dist 8.38064 7.07399 4.29582 4.39605 7.48342 6.03257 11.0528 9.88835 5.89412 9.75966 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 8.4674 8.40416 9.74255 4.64838 6.41575 9.95212 7.67038 4.54938 7.75618 4.97119 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 8.4674 6.41575 4.64838 9.74255 8.40416 9.95212 5.80928 4.51865 6.41423 7.08342 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 4.54938 7.75618 9.74255 4.97119 6.41575 9.95212 7.67038 8.4674 8.40416 4.64838 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 4.54938 6.41575 4.97119 9.74255 7.75618 9.95212 5.80928 6.864 6.41423 7.08342 numMergedOcc 0
11 mol 19 unq 4 iso 0 dist 4.51865 8.40416 7.08342 4.64838 6.41423 9.95212 7.67038 6.864 7.75618 4.97119 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 4.51865 6.41423 4.64838 7.08342 8.40416 9.95212 5.80928 8.4674 6.41575 9.74255 numMergedOcc 0
13 mol 19 unq 6 iso 0 dist 6.864 7.75618 7.08342 4.97119 6.41423 9.95212 7.67038 4.51865 8.40416 4.64838 numMergedOcc 0
14 mol 19 unq 7 iso 0 dist 6.864 6.41423 4.97119 7.08342 7.75618 9.95212 5.80928 4.54938 6.41575 9.74255 numMergedOcc 0
15 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 15.5315 15.5324 8.4051 12.176 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 10.0952 8.86116 8.60554 14.012 numMergedOcc 0
17 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 11.4989 11.0194 6.73939 11.9112 numMergedOcc 0
18 mol 24 unq 3 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 11.4989 11.0194 6.73939 4.50066 numMergedOcc 0
19 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 11.4989 11.0194 6.73939 5.11617 numMergedOcc 0
20 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 14.6259 15.5324 8.4051 12.176 numMergedOcc 0
21 mol 24 unq 6 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 10.0952 6.86014 7.29868 6.66749 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 8.86116 9.44691 13.4893 14.012 9.41441 15.7523 14.6259 15.5324 8.75662 12.176 numMergedOcc 0
23 mol 24 unq 8 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 11.4989 13.2433 6.73939 5.11617 numMergedOcc 0
24 mol 24 unq 9 iso 0 dist 8.86116 9.41441 14.012 10.971 8.44664 18.7793 11.4989 13.2433 6.73939 17.1059 numMergedOcc 0
25 mol 24 unq 10 iso 0 dist 8.86116 9.41441 14.012 13.4893 9.44691 15.7523 11.4989 13.2433 6.73939 10.8238 numMergedOcc 0
26 mol 24 unq 11 iso 0 dist 5.54419 8.4051 5.11617 5.59311 8.70827 12.8389 15.5315 11.0194 7.29868 19.5098 numMergedOcc 0
27 mol 24 unq 12 iso 0 dist 5.54419 8.4051 5.11617 5.59311 8.70827 12.8389 14.6259 13.2433 8.60554 18.8774 numMergedOcc 0
28 mol 24 unq 13 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 15.5315 11.0194 7.29868 6.66749 numMergedOcc 0
29 mol 24 unq 14 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 14.6259 13.2433 8.60554 14.012 numMergedOcc 0
30 mol 24 unq 15 iso 0 dist 5.54419 8.75662 10.8238 5.59311 8.70827 11.6684 14.6259 13.2433 9.44691 18.8774 numMergedOcc 0
31 mol 24 unq 16 iso 0 dist 5.54419 8.75662 10.8238 12.176 6.73939 15.7523 14.6259 13.2433 9.44691 14.012 numMergedOcc 0
32 mol 24 unq 17 iso 0 dist 5.54419 8.70827 5.59311 5.11617 8.4051 12.8389 12.3067 7.36323 9.12854 13.2229 numMergedOcc 0
33 mol 24 unq 18 iso 0 dist 5.54419 8.70827 5.59311 13.1779 8.23446 11.4596 12.3067 7.36323 9.12854 6.38336 numMergedOcc 0
34 mol 24 unq 19 iso 0 dist 5.54419 8.70827 5.59311 10.8238 8.75662 11.6684 12.3067 7.36323 9.12854 6.7828 numMergedOcc 0
35 mol 24 unq 20 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 11.4989 15.5324 9.41441 8.52463 numMergedOcc 0
36 mol 24 unq 21 iso 0 dist 5.54419 6.73939 12.176 13.1779 8.23446 19.0465 11.4989 15.5324 9.41441 21.8521 numMergedOcc 0
37 mol 24 unq 22 iso 0 dist 5.54419 6.73939 12.176 10.8238 8.75662 15.7523 11.4989 15.5324 9.41441 13.4893 numMergedOcc 0
38 mol 24 unq 23 iso 0 dist 7.36323 8.4051 13.2229 5.59311 9.12854 12.8389 15.5315 20.3888 7.29868 19.5098 numMergedOcc 0
39 mol 24 unq 24 iso 0 dist 7.36323 8.4051 13.2229 5.59311 9.12854 12.8389 14.6259 15.5296 8.60554 18.8774 numMergedOcc 0
40 mol 24 unq 25 iso 0 dist 7.36323 8.75662 6.7828 5.59311 9.12854 11.6684 14.6259 15.5296 9.44691 18.8774 numMergedOcc 0
41 mol 24 unq 26 iso 0 dist 7.36323 9.12854 5.59311 13.2229 8.4051 12.8389 12.3067 5.54419 8.70827 5.11617 numMergedOcc 0
42 mol 24 unq 27 iso 0 dist 7.36323 9.12854 5.59311 6.38336 8.23446 11.4596 12.3067 5.54419 8.70827 13.1779 numMergedOcc 0
43 mol 24 unq 28 iso 0 dist 7.36323 9.12854 5.59311 6.7828 8.75662 11.6684 12.3067 5.54419 8.70827 10.8238 numMergedOcc 0
44 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 10.9391 11.9561 6.16347 6.08585 numMergedOcc 0
45 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 15.5644 12.7009 8.50222 9.34396 numMergedOcc 0
46 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 16.1048 12.8117 7.55264 10.8498 numMergedOcc 0
47 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 15.5644 12.7009 8.50222 10.5328 numMergedOcc 0
48 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 16.1048 12.8117 7.55264 10.4337 numMergedOcc 0
49 mol 25 unq 5 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 10.9391 12.7009 7.45383 5.77929 numMergedOcc 0
50 mol 25 unq 6 iso 0 dist 7.57578 7.92503 6.11127 6.08585 8.50222 11.4912 10.6808 13.7311 8.6653 16.3984 numMergedOcc 0
51 mol 25 unq 7 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 15.5644 11.9561 8.87757 7.33728 numMergedOcc 0
52 mol 25 unq 8 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 4.33106 7.17969 7.55264 10.8498 numMergedOcc 0
53 mol 25 unq 9 iso 0 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 15.5644 11.9561 8.87757 19.1927 numMergedOcc 0
54 mol 25 unq 10 iso 0 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 4.33106 7.17969 7.55264 5.30154 numMergedOcc 0
55 mol 25 unq 11 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 10.9391 12.8117 7.45383 5.77929 numMergedOcc 0
56 mol 25 unq 12 iso 0 dist 7.17969 7.92503 5.30154 6.08585 7.55264 11.4912 10.6808 12.9968 8.6653 16.3984 numMergedOcc 0
57 mol 25 unq 13 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 16.1048 11.9561 8.87757 7.33728 numMergedOcc 0
58 mol 25 unq 14 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 4.33106 7.57578 8.50222 9.34396 numMergedOcc 0
59 mol 25 unq 15 iso 0 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 16.1048 11.9561 8.87757 19.1927 numMergedOcc 0
60 mol 25 unq 16 iso 0 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 4.33106 7.57578 8.50222 6.11127 numMergedOcc 0
61 mol 25 unq 17 iso 0 dist 6.03987 8.6653 5.82503 5.68392 6.85556 12.0452 10.6808 11.6743 7.92503 15.1839 numMergedOcc 0
62 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 10.2049 8.80614 10.2007 5.30792 6.62496 5.93884 9.95364 numMergedOcc 0
63 mol 58 unq 1 iso 0 dist 6.86465 9.92355 5.78774 10.2049 8.80614 10.2007 5.35073 6.35756 7.68678 5.49591 numMergedOcc 0
64 mol 58 unq 2 iso 0 dist 6.62496 5.93884 5.78774 9.95364 8.80614 10.2007 5.30792 6.86465 9.92355 10.2049 numMergedOcc 0
65 mol 58 unq 3 iso 0 dist 6.62496 5.93884 5.78774 9.95364 8.80614 10.2007 4.81926 6.35756 7.68678 5.49591 numMergedOcc 0
66 mol 58 unq 4 iso 0 dist 6.35756 7.68678 5.78774 5.49591 8.80614 10.2007 5.35073 6.86465 9.92355 10.2049 numMergedOcc 0
67 mol 58 unq 5 iso 0 dist 6.35756 7.68678 5.78774 5.49591 8.80614 10.2007 4.81926 6.62496 5.93884 9.95364 numMergedOcc 0
68 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 4.4057 6.65501 6.88901 8.40073 6.10456 4.47349 9.67482 numMergedOcc 0
69 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 4.4057 6.65501 6.88901 10.2427 10.1136 5.65185 12.0974 numMergedOcc 0
70 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 9.67482 6.65501 6.88901 8.40073 5.08437 6.7117 4.4057 numMergedOcc 0
71 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 9.67482 6.65501 6.88901 5.02887 10.1136 5.65185 12.0974 numMergedOcc 0
72 mol 100 unq 0 iso 0 dist 7.17106 7.10378 10.6848 8.4128 7.01812 9.5057 10.8586 10.1489 7.80975 5.42531 numMergedOcc 0
73 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 5.88134 10.5134 8.30845 15.3454 numMergedOcc 0
74 mol 100 unq 2 iso 0 dist 7.47343 8.30845 12.2861 11.2312 7.38135 17.21 5.88134 12.0662 7.01812 14.2012 numMergedOcc 0
75 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 5.79898 6.54501 7.80532 5.71679 numMergedOcc 0
76 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 5.00526 9.93925 6.23142 9.87376 numMergedOcc 0
77 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 11.3271 14.423 9.94764 14.9876 numMergedOcc 0
78 mol 134 unq 3 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 5.79898 9.89303 5.83771 4.60632 numMergedOcc 0
79 mol 134 unq 4 iso 0 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 5.00526 6.49416 6.23142 9.87376 numMergedOcc 0
80 mol 134 unq 5 iso 0 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 11.3271 12.5075 9.94764 14.9876 numMergedOcc 0
81 mol 134 unq 6 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 5.79898 9.93925 5.83771 4.60632 numMergedOcc 0
82 mol 134 unq 7 iso 0 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 5.00526 6.54501 7.69991 7.41674 numMergedOcc 0
83 mol 134 unq 8 iso 0 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 6.81259 12.5075 9.94764 14.9876 numMergedOcc 0
84 mol 156 unq 0 iso 0 dist 7.44554 9.44367 5.4555 5.71511 9.4013 8.37434 5.56175 8.94056 7.90267 6.13574 numMergedOcc 0
85 mol 156 unq 1 iso 0 dist 7.44554 9.47433 11.9952 5.71511 9.4013 14.1424 5.76755 10.4649 6.30021 8.63358 numMergedOcc 0
86 mol 156 unq 2 iso 0 dist 8.94056 7.90267 5.4555 6.13574 9.4013 8.37434 5.56175 7.44554 9.44367 5.71511 numMergedOcc 0
87 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 8.91338 8.90963 12.1629 6.01247 9.94371 6.22122 11.85 numMergedOcc 0
88 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 8.91338 8.90963 12.1629 8.88798 5.98885 7.99195 9.81073 numMergedOcc 0
89 mol 181 unq 2 iso 0 dist 8.03334 6.2479 7.81713 4.43096 6.46704 7.32087 6.01247 10.9639 6.22122 6.06566 numMergedOcc 0
90 mol 181 unq 3 iso 0 dist 8.03334 6.2479 7.81713 4.43096 6.46704 7.32087 8.88798 10.7062 7.99195 12.2164 numMergedOcc 0
91 mol 181 unq 4 iso 0 dist 8.03334 6.2479 7.81713 8.04639 6.59025 8.86197 6.01247 10.9639 6.22122 13.0409 numMergedOcc 0
92 mol 181 unq 5 iso 0 dist 8.03334 6.2479 7.81713 8.04639 6.59025 8.86197 8.88798 10.7062 7.99195 5.77299 numMergedOcc 0
93 mol 181 unq 6 iso 0 dist 5.98885 7.99195 6.6251 9.81073 8.90963 12.1629 8.88798 9.1374 6.2479 8.91338 numMergedOcc 0
94 mol 181 unq 7 iso 0 dist 5.98885 7.99195 6.6251 9.81073 8.90963 12.1629 12.6324 9.94371 6.22122 11.85 numMergedOcc 0
95 mol 181 unq 8 iso 0 dist 7.81386 9.39829 7.20191 7.77758 5.94469 11.8933 8.85576 7.63312 6.41453 12.5387 numMergedOcc 0
96 mol 181 unq 9 iso 0 dist 7.63312 6.41453 7.20191 12.5387 5.94469 11.8933 8.85576 7.81386 9.39829 7.77758 numMergedOcc 0
97 mol 231 unq 0 iso 0 dist 7.37839 6.98875 6.37275 9.0443 7.79066 12.7246 4.06055 8.40182 6.54852 12.1512 numMergedOcc 0
98 mol 231 unq 1 iso 0 dist 8.40182 6.54852 6.37275 12.1512 7.79066 12.7246 4.06055 7.37839 6.98875 9.0443 numMergedOcc 0
99 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 8.80479 9.05071 9.8664 6.56633 10.5803 8.50102 12.3508 numMergedOcc 0
100 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 6.20558 9.85289 6.88827 11.3308 11.3168 6.39866 6.16703 numMergedOcc 0
