0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 11.8172 11.0773 8.72114 6.55304 6.7985 6.14469 6.34041 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60499 6.7985 6.55304 9.0379 10.6581 9.68596 8.43473 6.02702 6.14469 5.03847 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.41585 9.68596 14.7759 9.0379 16.7601 6.7985 5.03847 10.3148 6.14469 8.43473 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 8.72114 13.8829 11.8172 18.3807 6.02702 6.34041 12.9581 6.14469 6.55304 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 11.7498 10.6338 6.42748 4.29582 7.07399 6.03257 10.1154 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 8.38064 7.07399 4.29582 11.0528 9.88835 5.89412 4.39605 7.48342 6.03257 9.75966 numMergedOcc 0
6 mol 15 unq 2 iso 0 dist 9.97507 7.48342 12.1303 11.7498 18.3783 6.42748 4.29582 11.7302 6.03257 10.1154 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 7.67038 10.4091 8.40416 4.97119 10.741 9.95212 4.64838 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 7.67038 4.54938 7.75618 4.64838 6.41575 9.95212 4.97119 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 8.4674 6.41575 4.64838 5.80928 4.51865 6.41423 9.74255 8.40416 9.95212 7.08342 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 4.54938 7.75618 9.74255 7.67038 8.4674 8.40416 4.97119 6.41575 9.95212 4.64838 numMergedOcc 0
11 mol 19 unq 4 iso 0 dist 4.54938 6.41575 4.97119 5.80928 6.864 6.41423 9.74255 7.75618 9.95212 7.08342 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 7.82074 6.41575 6.01808 5.80928 11.0366 6.41423 9.74255 12.3215 9.95212 7.08342 numMergedOcc 0
13 mol 19 unq 6 iso 0 dist 4.51865 8.40416 7.08342 7.67038 6.864 7.75618 4.64838 6.41423 9.95212 4.97119 numMergedOcc 0
14 mol 19 unq 7 iso 0 dist 4.51865 6.41423 4.64838 5.80928 8.4674 6.41575 7.08342 8.40416 9.95212 9.74255 numMergedOcc 0
15 mol 19 unq 8 iso 0 dist 6.864 7.75618 7.08342 7.67038 4.51865 8.40416 4.97119 6.41423 9.95212 4.64838 numMergedOcc 0
16 mol 19 unq 9 iso 0 dist 6.864 6.41423 4.97119 5.80928 4.54938 6.41575 7.08342 7.75618 9.95212 9.74255 numMergedOcc 0
17 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 6.66749 9.41441 6.72323 12.176 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 6.66749 9.41441 6.72323 14.012 numMergedOcc 0
19 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 4.32034 7.33768 8.00171 11.9112 numMergedOcc 0
20 mol 24 unq 3 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 12.2662 12.2059 5.95834 6.56748 numMergedOcc 0
21 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 8.67951 9.01567 4.2121 4.50066 numMergedOcc 0
22 mol 24 unq 5 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 8.52463 7.29868 6.72323 5.11617 numMergedOcc 0
23 mol 24 unq 6 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 14.012 9.41441 6.72323 12.176 numMergedOcc 0
24 mol 24 unq 7 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 14.012 9.41441 6.72323 6.66749 numMergedOcc 0
25 mol 24 unq 8 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 4.32034 12.9284 8.00171 11.9112 numMergedOcc 0
26 mol 24 unq 9 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 12.2662 17.592 5.95834 6.56748 numMergedOcc 0
27 mol 24 unq 10 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 8.67951 13.4393 4.2121 4.50066 numMergedOcc 0
28 mol 24 unq 11 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 8.52463 8.60554 6.72323 5.11617 numMergedOcc 0
29 mol 24 unq 12 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 14.012 15.392 6.72323 12.176 numMergedOcc 0
30 mol 24 unq 13 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 14.012 15.392 6.72323 6.66749 numMergedOcc 0
31 mol 24 unq 14 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 12.176 6.73939 6.72323 6.66749 numMergedOcc 0
32 mol 24 unq 15 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 12.176 6.73939 6.72323 14.012 numMergedOcc 0
33 mol 24 unq 16 iso 0 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 6.56748 11.3566 5.95834 12.2662 numMergedOcc 0
34 mol 24 unq 17 iso 0 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 4.50066 9.83002 4.2121 8.67951 numMergedOcc 0
35 mol 24 unq 18 iso 0 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 11.9112 16.8439 8.00171 4.32034 numMergedOcc 0
36 mol 24 unq 19 iso 0 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 5.11617 8.4051 6.72323 8.52463 numMergedOcc 0
37 mol 24 unq 20 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 12.176 18.673 6.72323 6.66749 numMergedOcc 0
38 mol 24 unq 21 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 12.176 18.673 6.72323 14.012 numMergedOcc 0
39 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 10.9391 11.9561 6.16347 5.77929 8.87757 6.25843 6.08585 numMergedOcc 0
40 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 7.33728 7.45383 6.25843 9.34396 numMergedOcc 0
41 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 13.9331 9.01548 8.88938 10.5328 numMergedOcc 0
42 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 7.33728 7.45383 6.25843 10.8498 numMergedOcc 0
43 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 13.9331 9.01548 8.88938 10.4337 numMergedOcc 0
44 mol 25 unq 5 iso 0 dist 7.57578 6.16347 9.34396 10.9391 12.7009 7.45383 6.08585 8.50222 6.25843 5.77929 numMergedOcc 0
45 mol 25 unq 6 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 9.34396 6.16347 6.25843 7.33728 numMergedOcc 0
46 mol 25 unq 7 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 10.5328 13.8469 8.88938 13.9331 numMergedOcc 0
47 mol 25 unq 8 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 9.34396 6.16347 6.25843 10.8498 numMergedOcc 0
48 mol 25 unq 9 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 10.5328 13.8469 8.88938 10.4337 numMergedOcc 0
49 mol 25 unq 10 iso 0 dist 7.17969 6.16347 10.8498 10.9391 12.8117 7.45383 6.08585 7.55264 6.25843 5.77929 numMergedOcc 0
50 mol 25 unq 11 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 10.8498 6.16347 6.25843 7.33728 numMergedOcc 0
51 mol 25 unq 12 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 10.4337 13.8469 8.88938 13.9331 numMergedOcc 0
52 mol 25 unq 13 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 10.8498 6.16347 6.25843 9.34396 numMergedOcc 0
53 mol 25 unq 14 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 10.4337 13.8469 8.88938 10.5328 numMergedOcc 0
54 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 8.40073 6.10456 4.47349 7.94178 11.3043 7.36769 9.85543 numMergedOcc 0
55 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 8.40073 6.10456 4.47349 4.4057 6.65501 6.88901 9.67482 numMergedOcc 0
56 mol 98 unq 2 iso 0 dist 5.08437 6.7117 7.06961 10.2427 10.1136 5.65185 7.94178 11.3043 7.36769 7.28361 numMergedOcc 0
57 mol 98 unq 3 iso 0 dist 5.08437 6.7117 7.06961 10.2427 10.1136 5.65185 4.4057 6.65501 6.88901 12.0974 numMergedOcc 0
58 mol 98 unq 4 iso 0 dist 6.10456 4.47349 7.06961 8.40073 5.08437 6.7117 9.85543 11.3043 7.36769 7.94178 numMergedOcc 0
59 mol 98 unq 5 iso 0 dist 6.10456 4.47349 7.06961 8.40073 5.08437 6.7117 9.67482 6.65501 6.88901 4.4057 numMergedOcc 0
60 mol 98 unq 6 iso 0 dist 6.10456 4.47349 7.06961 5.02887 10.1136 5.65185 9.85543 11.3043 7.36769 7.28361 numMergedOcc 0
61 mol 98 unq 7 iso 0 dist 6.10456 4.47349 7.06961 5.02887 10.1136 5.65185 9.67482 6.65501 6.88901 12.0974 numMergedOcc 0
62 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 10.8586 10.9461 7.10378 5.42531 10.9242 9.5057 8.4128 numMergedOcc 0
63 mol 100 unq 1 iso 0 dist 8.87449 7.80975 7.97897 10.8586 10.9461 7.10378 4.86592 10.8527 5.75014 7.96533 numMergedOcc 0
64 mol 100 unq 2 iso 0 dist 9.60661 7.01812 5.80144 5.88134 6.65086 8.30845 10.6848 14.8081 9.5057 15.3454 numMergedOcc 0
65 mol 100 unq 3 iso 0 dist 7.17106 7.10378 10.6848 10.8586 10.1489 7.80975 8.4128 7.01812 9.5057 5.42531 numMergedOcc 0
66 mol 100 unq 4 iso 0 dist 7.17106 7.10378 10.6848 10.8586 10.1489 7.80975 7.96533 10.4538 5.75014 4.86592 numMergedOcc 0
67 mol 100 unq 5 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 10.6848 7.10378 9.5057 15.3454 numMergedOcc 0
68 mol 100 unq 6 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 10.6848 15.2289 9.5057 15.3454 numMergedOcc 0
69 mol 100 unq 7 iso 0 dist 7.47343 8.30845 12.2861 5.88134 12.0662 7.01812 15.3454 21.075 9.5057 10.6848 numMergedOcc 0
70 mol 100 unq 8 iso 0 dist 6.65086 8.30845 5.80144 5.88134 9.60661 7.01812 15.3454 14.8081 9.5057 10.6848 numMergedOcc 0
71 mol 100 unq 9 iso 0 dist 6.56369 8.30845 10.0456 5.88134 9.35224 7.01812 15.3454 15.2289 9.5057 10.6848 numMergedOcc 0
72 mol 100 unq 10 iso 0 dist 9.30209 8.30845 6.70236 5.88134 10.5853 7.01812 15.3454 12.6004 9.5057 10.6848 numMergedOcc 0
73 mol 125 unq 0 iso 0 dist 8.62381 7.73435 7.43922 5.20403 12.7528 8.76789 9.20086 12.7356 6.11502 6.40824 numMergedOcc 0
74 mol 125 unq 1 iso 0 dist 8.62381 9.3778 11.0769 5.20403 12.7528 9.08382 9.20086 12.7356 6.33431 6.40824 numMergedOcc 0
75 mol 125 unq 2 iso 0 dist 8.62381 9.3778 11.0769 11.8325 17.1992 7.47069 9.20086 12.7356 6.33431 9.44075 numMergedOcc 0
76 mol 133 unq 0 iso 0 dist 6.29155 6.16242 4.54648 7.81217 6.80239 5.87634 12.131 10.9581 8.95662 14.8102 numMergedOcc 0
77 mol 133 unq 1 iso 0 dist 6.80239 5.87634 4.54648 7.81217 6.29155 6.16242 14.8102 10.9581 8.95662 12.131 numMergedOcc 0
78 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 5.79898 6.54501 7.80532 4.60632 7.69991 6.40575 5.71679 numMergedOcc 0
79 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 5.00526 9.93925 6.23142 7.41674 5.83771 6.40575 9.87376 numMergedOcc 0
80 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 7.41674 5.83771 6.40575 14.9876 numMergedOcc 0
81 mol 134 unq 3 iso 0 dist 6.54501 7.80532 7.41674 5.79898 9.89303 5.83771 5.71679 7.69991 6.40575 4.60632 numMergedOcc 0
82 mol 134 unq 4 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 7.41674 7.80532 6.40575 9.87376 numMergedOcc 0
83 mol 134 unq 5 iso 0 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 7.41674 7.80532 6.40575 14.9876 numMergedOcc 0
84 mol 134 unq 6 iso 0 dist 8.94367 6.23142 4.57832 5.00526 11.9139 7.69991 9.87376 10.5252 6.40575 7.41674 numMergedOcc 0
85 mol 134 unq 7 iso 0 dist 8.94367 6.23142 4.57832 6.81259 9.86662 9.94764 9.87376 10.5252 6.40575 14.9876 numMergedOcc 0
86 mol 134 unq 8 iso 0 dist 6.37586 6.23142 5.29786 5.00526 9.5126 7.69991 9.87376 10.7586 6.40575 7.41674 numMergedOcc 0
87 mol 134 unq 9 iso 0 dist 6.37586 6.23142 5.29786 6.81259 9.71307 9.94764 9.87376 10.7586 6.40575 14.9876 numMergedOcc 0
88 mol 134 unq 10 iso 0 dist 6.49416 7.80532 9.87376 5.79898 9.93925 5.83771 5.71679 6.23142 6.40575 4.60632 numMergedOcc 0
89 mol 134 unq 11 iso 0 dist 6.49416 6.23142 5.71679 5.00526 6.54501 7.69991 9.87376 7.80532 6.40575 7.41674 numMergedOcc 0
90 mol 134 unq 12 iso 0 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 9.87376 7.80532 6.40575 14.9876 numMergedOcc 0
91 mol 134 unq 13 iso 0 dist 9.86662 9.94764 4.57832 11.3271 11.9139 7.69991 14.9876 10.5252 6.40575 7.41674 numMergedOcc 0
92 mol 134 unq 14 iso 0 dist 9.86662 9.94764 4.57832 6.81259 8.94367 6.23142 14.9876 10.5252 6.40575 9.87376 numMergedOcc 0
93 mol 134 unq 15 iso 0 dist 9.71307 9.94764 5.29786 11.3271 9.5126 7.69991 14.9876 10.7586 6.40575 7.41674 numMergedOcc 0
94 mol 134 unq 16 iso 0 dist 9.71307 9.94764 5.29786 6.81259 6.37586 6.23142 14.9876 10.7586 6.40575 9.87376 numMergedOcc 0
95 mol 156 unq 0 iso 0 dist 7.44554 9.44367 5.4555 5.56175 8.94056 7.90267 5.71511 9.4013 8.37434 6.13574 numMergedOcc 0
96 mol 156 unq 1 iso 0 dist 7.66148 7.90267 6.03934 5.56175 12.0598 9.44367 6.13574 11.1147 8.37434 5.71511 numMergedOcc 0
97 mol 156 unq 2 iso 0 dist 8.94056 7.90267 5.4555 5.56175 7.44554 9.44367 6.13574 9.4013 8.37434 5.71511 numMergedOcc 0
98 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 6.01247 9.94371 6.22122 4.43096 12.4878 7.32087 6.06566 numMergedOcc 0
99 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 6.01247 9.94371 6.22122 8.04639 10.6908 8.86197 13.0409 numMergedOcc 0
100 mol 181 unq 2 iso 0 dist 9.1374 6.2479 6.6251 8.88798 5.98885 7.99195 4.43096 12.4878 7.32087 12.2164 numMergedOcc 0
101 mol 181 unq 3 iso 0 dist 9.1374 6.2479 6.6251 8.88798 5.98885 7.99195 8.04639 10.6908 8.86197 5.77299 numMergedOcc 0
102 mol 181 unq 4 iso 0 dist 8.03334 6.2479 7.81713 6.01247 10.9639 6.22122 4.43096 6.46704 7.32087 6.06566 numMergedOcc 0
103 mol 181 unq 5 iso 0 dist 8.03334 6.2479 7.81713 6.01247 10.9639 6.22122 8.04639 6.59025 8.86197 13.0409 numMergedOcc 0
104 mol 181 unq 6 iso 0 dist 8.03334 6.2479 7.81713 8.88798 10.7062 7.99195 4.43096 6.46704 7.32087 12.2164 numMergedOcc 0
105 mol 181 unq 7 iso 0 dist 8.03334 6.2479 7.81713 8.88798 10.7062 7.99195 8.04639 6.59025 8.86197 5.77299 numMergedOcc 0
106 mol 181 unq 8 iso 0 dist 5.98885 7.99195 6.6251 8.88798 9.1374 6.2479 12.2164 12.4878 7.32087 4.43096 numMergedOcc 0
107 mol 181 unq 9 iso 0 dist 5.98885 7.99195 6.6251 8.88798 9.1374 6.2479 5.77299 10.6908 8.86197 8.04639 numMergedOcc 0
108 mol 181 unq 10 iso 0 dist 5.98885 7.99195 6.6251 12.6324 9.94371 6.22122 12.2164 12.4878 7.32087 6.06566 numMergedOcc 0
109 mol 181 unq 11 iso 0 dist 5.98885 7.99195 6.6251 12.6324 9.94371 6.22122 5.77299 10.6908 8.86197 13.0409 numMergedOcc 0
110 mol 181 unq 12 iso 0 dist 9.09537 7.99195 10.09 8.88798 15.0228 6.2479 12.2164 16.4314 7.32087 4.43096 numMergedOcc 0
111 mol 181 unq 13 iso 0 dist 9.09537 7.99195 10.09 8.88798 15.0228 6.2479 5.77299 11.3325 8.86197 8.04639 numMergedOcc 0
112 mol 181 unq 14 iso 0 dist 9.09537 7.99195 10.09 12.6324 16.2058 6.22122 12.2164 16.4314 7.32087 6.06566 numMergedOcc 0
113 mol 181 unq 15 iso 0 dist 9.09537 7.99195 10.09 12.6324 16.2058 6.22122 5.77299 11.3325 8.86197 13.0409 numMergedOcc 0
114 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 6.56633 10.5803 8.50102 12.5452 13.7227 9.78181 6.2188 numMergedOcc 0
115 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 6.56633 10.5803 8.50102 8.80479 9.05071 9.8664 12.3508 numMergedOcc 0
116 mol 249 unq 0 iso 0 dist 7.57994 5.48118 10.7772 5.3927 12.8752 7.25858 9.0676 16.0282 5.9627 6.56117 numMergedOcc 0
117 mol 249 unq 1 iso 0 dist 6.18582 5.48118 7.04666 5.3927 11.2388 7.25858 9.0676 12.4721 5.9627 6.56117 numMergedOcc 0
118 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 11.3308 11.3168 6.39866 6.20558 9.85289 6.88827 6.16703 numMergedOcc 0
119 mol 274 unq 1 iso 0 dist 7.56915 8.52587 5.29529 11.3308 11.3168 6.39866 16.3619 14.1515 9.16942 5.64601 numMergedOcc 0
