0 mol 7 unq 0 iso 0 dist 8.41585 9.68596 14.7759 5.03847 10.3148 6.14469 10.6581 15.8875 6.55304 6.02702 10.5461 12.2041 6.34041 8.72114 11.8172 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.41585 9.68596 14.7759 5.03847 10.3148 6.14469 10.5461 12.2041 6.34041 8.72114 10.6581 15.8875 6.55304 6.02702 11.8172 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.10621 8.72114 13.8829 6.34041 12.9581 6.14469 11.0773 15.4949 8.43473 6.7985 10.5461 13.2247 5.03847 9.68596 9.0379 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 7.10621 8.72114 13.8829 6.34041 12.9581 6.14469 10.5461 13.2247 5.03847 9.68596 11.0773 15.4949 8.43473 6.7985 9.0379 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 15.1483 9.76038 8.50424 7.32257 14.896 11.5235 6.02809 6.55811 6.14147 numMergedOcc 0
5 mol 9 unq 0 iso 1 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 14.896 11.5235 6.02809 6.55811 15.1483 9.76038 8.50424 7.32257 6.14147 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 15.1483 9.76038 8.50424 7.32257 13.3648 12.8474 4.98827 8.64915 10.5747 numMergedOcc 0
7 mol 9 unq 1 iso 1 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 13.3648 12.8474 4.98827 8.64915 15.1483 9.76038 8.50424 7.32257 10.5747 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 14.896 11.5235 6.02809 6.55811 13.3648 12.8474 4.98827 8.64915 5.06358 numMergedOcc 0
9 mol 9 unq 1 iso 1 dist 8.57077 9.62394 9.5997 16.147 14.519 7.35972 13.3648 12.8474 4.98827 8.64915 14.896 11.5235 6.02809 6.55811 5.06358 numMergedOcc 0
10 mol 9 unq 2 iso 0 dist 8.57077 9.62394 9.5997 19.4709 18.1148 9.93542 14.896 11.5235 6.02809 7.36018 13.3648 12.8474 4.98827 8.17347 5.06358 numMergedOcc 0
11 mol 9 unq 2 iso 1 dist 8.57077 9.62394 9.5997 19.4709 18.1148 9.93542 13.3648 12.8474 4.98827 8.17347 14.896 11.5235 6.02809 7.36018 5.06358 numMergedOcc 0
12 mol 15 unq 0 iso 0 dist 9.97507 7.48342 12.1303 4.29582 11.7302 6.03257 9.88835 16.8845 9.75966 5.89412 8.38064 9.03536 4.39605 7.07399 11.0528 numMergedOcc 0
13 mol 15 unq 0 iso 1 dist 9.97507 7.48342 12.1303 4.29582 11.7302 6.03257 8.38064 9.03536 4.39605 7.07399 9.88835 16.8845 9.75966 5.89412 11.0528 numMergedOcc 0
14 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 4.97119 10.741 9.95212 4.54938 7.34551 9.74255 6.41575 6.864 7.07775 7.08342 6.41423 5.80928 numMergedOcc 0
15 mol 19 unq 0 iso 1 dist 7.20519 7.75618 4.96411 4.97119 10.741 9.95212 6.864 7.07775 7.08342 6.41423 4.54938 7.34551 9.74255 6.41575 5.80928 numMergedOcc 0
16 mol 19 unq 1 iso 0 dist 7.82074 6.41575 6.01808 9.74255 12.3215 9.95212 8.4674 10.3915 4.64838 8.40416 4.54938 5.03957 4.97119 7.75618 7.67038 numMergedOcc 0
17 mol 19 unq 1 iso 1 dist 7.82074 6.41575 6.01808 9.74255 12.3215 9.95212 4.54938 5.03957 4.97119 7.75618 8.4674 10.3915 4.64838 8.40416 7.67038 numMergedOcc 0
18 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 15.5324 15.5315 12.176 8.4051 8.86116 10.0952 14.012 8.60554 14.6259 numMergedOcc 0
19 mol 24 unq 0 iso 1 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 8.86116 10.0952 14.012 8.60554 15.5324 15.5315 12.176 8.4051 14.6259 numMergedOcc 0
20 mol 24 unq 1 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 15.5324 14.6259 12.176 8.4051 6.86014 10.0952 6.66749 7.29868 15.5315 numMergedOcc 0
21 mol 24 unq 1 iso 1 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 6.86014 10.0952 6.66749 7.29868 15.5324 14.6259 12.176 8.4051 15.5315 numMergedOcc 0
22 mol 24 unq 2 iso 0 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 8.86116 6.44287 8.52463 9.41441 13.2433 15.4364 5.11617 6.73939 11.4989 numMergedOcc 0
23 mol 24 unq 2 iso 1 dist 8.38394 8.60554 12.3994 14.012 15.392 6.72323 13.2433 15.4364 5.11617 6.73939 8.86116 6.44287 8.52463 9.41441 11.4989 numMergedOcc 0
24 mol 24 unq 3 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 11.0194 15.5315 6.66749 7.29868 13.2433 14.6259 14.012 8.60554 10.0952 numMergedOcc 0
25 mol 24 unq 3 iso 1 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 13.2433 14.6259 14.012 8.60554 11.0194 15.5315 6.66749 7.29868 10.0952 numMergedOcc 0
26 mol 24 unq 4 iso 0 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 15.5324 19.2131 8.52463 9.41441 5.54419 12.3067 5.11617 6.73939 11.4989 numMergedOcc 0
27 mol 24 unq 4 iso 1 dist 7.36323 8.4051 13.2229 12.176 18.673 6.72323 5.54419 12.3067 5.11617 6.73939 15.5324 19.2131 8.52463 9.41441 11.4989 numMergedOcc 0
28 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 12.7009 15.5644 9.34396 8.50222 12.8117 16.1048 10.8498 7.55264 4.33106 numMergedOcc 0
29 mol 25 unq 0 iso 1 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 12.8117 16.1048 10.8498 7.55264 12.7009 15.5644 9.34396 8.50222 4.33106 numMergedOcc 0
30 mol 25 unq 1 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 12.7009 15.5644 10.5328 8.50222 12.8117 16.1048 10.4337 7.55264 4.33106 numMergedOcc 0
31 mol 25 unq 1 iso 1 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 12.8117 16.1048 10.4337 7.55264 12.7009 15.5644 10.5328 8.50222 4.33106 numMergedOcc 0
32 mol 25 unq 2 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 11.9561 15.5644 7.33728 8.87757 7.17969 4.33106 10.8498 7.55264 16.1048 numMergedOcc 0
33 mol 25 unq 2 iso 1 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 7.17969 4.33106 10.8498 7.55264 11.9561 15.5644 7.33728 8.87757 16.1048 numMergedOcc 0
34 mol 25 unq 3 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 11.9561 16.1048 7.33728 8.87757 7.57578 4.33106 9.34396 8.50222 15.5644 numMergedOcc 0
35 mol 25 unq 3 iso 1 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 7.57578 4.33106 9.34396 8.50222 11.9561 16.1048 7.33728 8.87757 15.5644 numMergedOcc 0
36 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 6.10456 8.40073 9.67482 4.47349 10.1136 10.2427 12.0974 5.65185 5.02887 numMergedOcc 0
37 mol 98 unq 0 iso 1 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 10.1136 10.2427 12.0974 5.65185 6.10456 8.40073 9.67482 4.47349 5.02887 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 5.08437 9.51923 4.4057 6.7117 6.10456 9.42358 9.67482 4.47349 8.40073 numMergedOcc 0
39 mol 98 unq 1 iso 1 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 6.10456 9.42358 9.67482 4.47349 5.08437 9.51923 4.4057 6.7117 8.40073 numMergedOcc 0
40 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 5.08437 9.51923 4.4057 6.7117 10.1136 13.9786 12.0974 5.65185 10.2427 numMergedOcc 0
41 mol 98 unq 2 iso 1 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 10.1136 13.9786 12.0974 5.65185 5.08437 9.51923 4.4057 6.7117 10.2427 numMergedOcc 0
42 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 6.10456 9.42358 9.67482 4.47349 10.1136 13.9786 12.0974 5.65185 5.02887 numMergedOcc 0
43 mol 98 unq 2 iso 1 dist 6.48948 6.65501 7.42446 7.06961 9.42961 6.88901 10.1136 13.9786 12.0974 5.65185 6.10456 9.42358 9.67482 4.47349 5.02887 numMergedOcc 0
44 mol 98 unq 3 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 5.08437 8.40073 4.4057 6.7117 10.1136 5.02887 12.0974 5.65185 10.2427 numMergedOcc 0
45 mol 98 unq 3 iso 1 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 10.1136 5.02887 12.0974 5.65185 5.08437 8.40073 4.4057 6.7117 10.2427 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 5.42531 10.9242 9.5057 10.1489 8.98304 10.6848 7.01812 13.2001 14.5815 15.3454 8.30845 5.88134 numMergedOcc 0
47 mol 100 unq 0 iso 1 dist 8.87449 7.80975 7.97897 5.42531 10.9242 9.5057 13.2001 14.5815 15.3454 8.30845 10.1489 8.98304 10.6848 7.01812 5.88134 numMergedOcc 0
48 mol 100 unq 1 iso 0 dist 9.60661 7.01812 5.80144 10.6848 14.8081 9.5057 10.1489 10.8375 5.42531 7.80975 7.17106 11.5403 8.4128 7.10378 10.8586 numMergedOcc 0
49 mol 100 unq 1 iso 1 dist 9.60661 7.01812 5.80144 10.6848 14.8081 9.5057 7.17106 11.5403 8.4128 7.10378 10.1489 10.8375 5.42531 7.80975 10.8586 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 10.6848 15.2289 9.5057 10.1489 15.1999 5.42531 7.80975 7.17106 8.87654 8.4128 7.10378 10.8586 numMergedOcc 0
51 mol 100 unq 2 iso 1 dist 9.35224 7.01812 10.0456 10.6848 15.2289 9.5057 7.17106 8.87654 8.4128 7.10378 10.1489 15.1999 5.42531 7.80975 10.8586 numMergedOcc 0
52 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 15.3454 21.075 9.5057 13.2001 16.3949 5.42531 7.80975 10.5134 17.5254 8.4128 7.10378 10.8586 numMergedOcc 0
53 mol 100 unq 3 iso 1 dist 7.47343 8.30845 12.2861 15.3454 21.075 9.5057 10.5134 17.5254 8.4128 7.10378 13.2001 16.3949 5.42531 7.80975 10.8586 numMergedOcc 0
54 mol 100 unq 4 iso 0 dist 6.65086 8.30845 5.80144 15.3454 14.8081 9.5057 13.2001 10.8375 5.42531 7.80975 10.5134 11.5403 8.4128 7.10378 10.8586 numMergedOcc 0
55 mol 100 unq 4 iso 1 dist 6.65086 8.30845 5.80144 15.3454 14.8081 9.5057 10.5134 11.5403 8.4128 7.10378 13.2001 10.8375 5.42531 7.80975 10.8586 numMergedOcc 0
56 mol 100 unq 5 iso 0 dist 6.56369 8.30845 10.0456 15.3454 15.2289 9.5057 13.2001 15.1999 5.42531 7.80975 10.5134 8.87654 8.4128 7.10378 10.8586 numMergedOcc 0
57 mol 100 unq 5 iso 1 dist 6.56369 8.30845 10.0456 15.3454 15.2289 9.5057 10.5134 8.87654 8.4128 7.10378 13.2001 15.1999 5.42531 7.80975 10.8586 numMergedOcc 0
58 mol 100 unq 6 iso 0 dist 9.30209 8.30845 6.70236 15.3454 12.6004 9.5057 13.2001 11.2306 5.42531 7.80975 10.5134 8.7812 8.4128 7.10378 10.8586 numMergedOcc 0
59 mol 100 unq 6 iso 1 dist 9.30209 8.30845 6.70236 15.3454 12.6004 9.5057 10.5134 8.7812 8.4128 7.10378 13.2001 11.2306 5.42531 7.80975 10.8586 numMergedOcc 0
60 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 9.93925 5.00526 9.87376 6.23142 14.423 11.3271 14.9876 9.94764 6.81259 numMergedOcc 0
61 mol 134 unq 0 iso 1 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 14.423 11.3271 14.9876 9.94764 9.93925 5.00526 9.87376 6.23142 6.81259 numMergedOcc 0
62 mol 134 unq 1 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 6.49416 5.00526 9.87376 6.23142 12.5075 11.3271 14.9876 9.94764 6.81259 numMergedOcc 0
63 mol 134 unq 1 iso 1 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 12.5075 11.3271 14.9876 9.94764 6.49416 5.00526 9.87376 6.23142 6.81259 numMergedOcc 0
64 mol 134 unq 2 iso 0 dist 8.94367 6.23142 4.57832 9.87376 10.5252 6.40575 9.93925 6.86927 4.60632 5.83771 6.49416 8.80819 5.71679 7.80532 5.79898 numMergedOcc 0
65 mol 134 unq 2 iso 1 dist 8.94367 6.23142 4.57832 9.87376 10.5252 6.40575 6.49416 8.80819 5.71679 7.80532 9.93925 6.86927 4.60632 5.83771 5.79898 numMergedOcc 0
66 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 9.87376 10.7586 6.40575 9.93925 7.11631 4.60632 5.83771 6.49416 5.00817 5.71679 7.80532 5.79898 numMergedOcc 0
67 mol 134 unq 3 iso 1 dist 6.37586 6.23142 5.29786 9.87376 10.7586 6.40575 6.49416 5.00817 5.71679 7.80532 9.93925 7.11631 4.60632 5.83771 5.79898 numMergedOcc 0
68 mol 134 unq 4 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 6.54501 5.00526 7.41674 7.69991 12.5075 6.81259 14.9876 9.94764 11.3271 numMergedOcc 0
69 mol 134 unq 4 iso 1 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 12.5075 6.81259 14.9876 9.94764 6.54501 5.00526 7.41674 7.69991 11.3271 numMergedOcc 0
70 mol 134 unq 5 iso 0 dist 9.86662 9.94764 4.57832 14.9876 10.5252 6.40575 14.423 6.86927 4.60632 5.83771 12.5075 8.80819 5.71679 7.80532 5.79898 numMergedOcc 0
71 mol 134 unq 5 iso 1 dist 9.86662 9.94764 4.57832 14.9876 10.5252 6.40575 12.5075 8.80819 5.71679 7.80532 14.423 6.86927 4.60632 5.83771 5.79898 numMergedOcc 0
72 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 14.9876 10.7586 6.40575 14.423 7.11631 4.60632 5.83771 12.5075 5.00817 5.71679 7.80532 5.79898 numMergedOcc 0
73 mol 134 unq 6 iso 1 dist 9.71307 9.94764 5.29786 14.9876 10.7586 6.40575 12.5075 5.00817 5.71679 7.80532 14.423 7.11631 4.60632 5.83771 5.79898 numMergedOcc 0
74 mol 156 unq 0 iso 0 dist 9.83699 9.4013 5.80008 5.4555 10.3379 8.37434 7.44554 8.38403 5.71511 9.44367 8.94056 11.2719 6.13574 7.90267 5.56175 numMergedOcc 0
75 mol 156 unq 0 iso 1 dist 9.83699 9.4013 5.80008 5.4555 10.3379 8.37434 8.94056 11.2719 6.13574 7.90267 7.44554 8.38403 5.71511 9.44367 5.56175 numMergedOcc 0
76 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 10.9639 6.01247 6.06566 6.22122 10.7062 8.88798 12.2164 7.99195 12.6324 numMergedOcc 0
77 mol 181 unq 0 iso 1 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 10.7062 8.88798 12.2164 7.99195 10.9639 6.01247 6.06566 6.22122 12.6324 numMergedOcc 0
78 mol 181 unq 1 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 10.9639 6.01247 13.0409 6.22122 10.7062 8.88798 5.77299 7.99195 12.6324 numMergedOcc 0
79 mol 181 unq 1 iso 1 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 10.7062 8.88798 5.77299 7.99195 10.9639 6.01247 13.0409 6.22122 12.6324 numMergedOcc 0
80 mol 273 unq 0 iso 0 dist 9.01049 8.49177 9.25493 4.60101 11.6152 7.16346 13.3579 19.565 12.0136 8.83865 13.4294 18.0621 12.1851 9.18157 5.96724 numMergedOcc 0
81 mol 273 unq 0 iso 1 dist 9.01049 8.49177 9.25493 4.60101 11.6152 7.16346 13.4294 18.0621 12.1851 9.18157 13.3579 19.565 12.0136 8.83865 5.96724 numMergedOcc 0
82 mol 274 unq 0 iso 0 dist 8.49997 9.85289 11.4459 5.29529 11.6126 6.88827 7.56915 6.33073 6.20558 8.52587 11.3168 14.9562 6.16703 6.39866 11.3308 numMergedOcc 0
83 mol 274 unq 0 iso 1 dist 8.49997 9.85289 11.4459 5.29529 11.6126 6.88827 11.3168 14.9562 6.16703 6.39866 7.56915 6.33073 6.20558 8.52587 11.3308 numMergedOcc 0
