0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 12.1303 7.48342 11.2317 11.7302 4.29582 8.72342 6.03257 13.7602 9.84471 13.5608 5.20798 6.23015 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 4.64838 6.41575 6.41423 8.40416 9.74255 7.08342 9.95212 10.4416 13.0732 12.2354 9.79414 8.54034 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 4.97119 6.41575 10.741 7.75618 9.74255 4.96411 9.95212 8.7083 13.0732 11.877 9.79414 8.54034 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 4.97119 6.41575 6.41423 7.75618 9.74255 7.08342 9.95212 8.7083 13.0732 12.2354 9.79414 8.54034 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.51865 8.4674 5.80928 4.64838 6.41423 6.41575 8.40416 7.08342 9.74255 9.95212 10.4416 12.2354 13.0732 9.79414 8.54034 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 6.864 7.20519 7.07775 4.97119 6.41423 10.741 7.75618 7.08342 4.96411 9.95212 8.7083 12.2354 11.877 9.79414 8.54034 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 6.864 4.54938 5.80928 4.97119 6.41423 6.41575 7.75618 7.08342 9.74255 9.95212 8.7083 12.2354 13.0732 9.79414 8.54034 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 4.32034 7.33768 12.9284 9.41441 6.66749 14.012 8.00171 9.88364 10.2862 18.188 5.70626 9.85784 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 4.32034 7.33768 12.9284 9.41441 6.66749 14.012 8.00171 9.78753 11.825 18.4146 5.62738 9.87996 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 9.41441 6.66749 14.012 4.2121 9.88364 10.2862 18.188 11.076 9.85784 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 9.41441 6.66749 14.012 4.2121 9.78753 11.825 18.4146 9.68535 9.87996 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 9.41441 6.66749 14.012 6.72323 9.88364 10.2862 18.188 14.6305 9.85784 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 9.41441 6.66749 14.012 6.72323 9.78753 11.825 18.4146 14.3224 9.87996 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 17.592 12.2662 17.3058 5.95834 18.6847 17.6792 20.7191 12.5545 9.73647 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 17.592 12.2662 17.3058 5.95834 14.8647 12.5088 17.9146 4.08755 7.26334 numMergedOcc 0
15 mol 24 unq 8 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 17.592 12.2662 17.3058 5.95834 20.7962 15.4457 21.3895 6.86136 5.78532 numMergedOcc 0
16 mol 24 unq 9 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 13.4393 8.67951 13.6595 4.2121 14.8647 12.5088 17.9146 4.08755 6.19899 numMergedOcc 0
17 mol 24 unq 10 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 13.4393 8.67951 13.6595 4.2121 20.7962 15.4457 21.3895 6.86136 8.49709 numMergedOcc 0
18 mol 24 unq 11 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 8.60554 8.52463 12.3994 6.72323 14.8647 12.5088 17.9146 4.08755 6.61696 numMergedOcc 0
19 mol 24 unq 12 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 8.60554 8.52463 12.3994 6.72323 5.11636 7.95042 10.9819 10.0453 5.80953 numMergedOcc 0
20 mol 24 unq 13 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 9.41441 14.012 6.66749 6.72323 9.88364 18.188 10.2862 14.6305 9.85784 numMergedOcc 0
21 mol 24 unq 14 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 9.41441 14.012 6.66749 6.72323 9.78753 18.4146 11.825 14.3224 9.87996 numMergedOcc 0
22 mol 24 unq 15 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 11.3566 6.56748 18.1606 5.95834 4.82629 6.6219 11.0181 12.5545 9.73647 numMergedOcc 0
23 mol 24 unq 16 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 11.3566 6.56748 18.1606 5.95834 10.1698 5.68215 17.003 4.08755 7.26334 numMergedOcc 0
24 mol 24 unq 17 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 11.3566 6.56748 18.1606 5.95834 15.2259 10.4441 22.4892 6.86136 5.78532 numMergedOcc 0
25 mol 24 unq 18 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 9.83002 4.50066 16.0443 4.2121 10.1698 5.68215 17.003 4.08755 6.19899 numMergedOcc 0
26 mol 24 unq 19 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 9.83002 4.50066 16.0443 4.2121 15.2259 10.4441 22.4892 6.86136 8.49709 numMergedOcc 0
27 mol 24 unq 20 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 8.4051 5.11617 13.2229 6.72323 10.1698 5.68215 17.003 4.08755 6.61696 numMergedOcc 0
28 mol 24 unq 21 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 8.4051 5.11617 13.2229 6.72323 13.6174 10.9113 16.707 10.0453 5.80953 numMergedOcc 0
29 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 6.16347 9.34396 10.8498 6.25843 5.63212 10.9703 10.3338 3.904 5.20109 numMergedOcc 0
30 mol 25 unq 1 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 6.16347 10.8498 9.34396 6.25843 5.63212 10.3338 10.9703 3.904 5.20109 numMergedOcc 0
31 mol 60 unq 0 iso 0 dist 8.7531 8.33063 7.29309 7.04075 9.90939 10.5084 11.816 5.94827 11.2415 8.97364 8.62476 8.4312 12.8147 5.85676 6.63448 numMergedOcc 0
32 mol 60 unq 1 iso 0 dist 8.7531 6.43294 5.67502 7.04075 9.90939 10.1323 11.816 5.94827 9.49968 8.97364 8.62476 8.4312 7.57295 5.85676 6.63448 numMergedOcc 0
33 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 11.3043 7.94178 15.7178 7.36769 3.9764 5.10496 5.92242 3.94967 9.84703 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 11.3043 7.94178 15.7178 7.36769 10.4782 9.81956 10.8223 3.92737 9.25444 numMergedOcc 0
35 mol 98 unq 2 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 6.65501 4.4057 7.42446 6.88901 10.4782 9.81956 10.8223 3.92737 8.46823 numMergedOcc 0
36 mol 98 unq 3 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 6.65501 4.4057 7.42446 6.88901 3.9764 5.10496 5.92242 3.94967 4.62494 numMergedOcc 0
37 mol 98 unq 4 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 11.3043 7.94178 9.85543 7.36769 3.9764 5.10496 5.2571 3.94967 9.84703 numMergedOcc 0
38 mol 98 unq 5 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 11.3043 7.94178 9.85543 7.36769 10.4782 9.81956 7.54889 3.92737 9.25444 numMergedOcc 0
39 mol 98 unq 6 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 6.65501 4.4057 9.67482 6.88901 10.4782 9.81956 7.54889 3.92737 8.46823 numMergedOcc 0
40 mol 98 unq 7 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 6.65501 4.4057 9.67482 6.88901 3.9764 5.10496 5.2571 3.94967 4.62494 numMergedOcc 0
41 mol 98 unq 8 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 11.3043 9.85543 7.94178 7.36769 3.9764 5.2571 5.10496 3.94967 9.84703 numMergedOcc 0
42 mol 98 unq 9 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 11.3043 9.85543 7.94178 7.36769 10.4782 7.54889 9.81956 3.92737 9.25444 numMergedOcc 0
43 mol 98 unq 10 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 6.65501 9.67482 4.4057 6.88901 10.4782 7.54889 9.81956 3.92737 8.46823 numMergedOcc 0
44 mol 98 unq 11 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 6.65501 9.67482 4.4057 6.88901 3.9764 5.2571 5.10496 3.94967 4.62494 numMergedOcc 0
45 mol 98 unq 12 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 11.3043 9.85543 15.7178 7.36769 3.9764 5.2571 5.92242 3.94967 9.84703 numMergedOcc 0
46 mol 98 unq 13 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 11.3043 9.85543 15.7178 7.36769 10.4782 7.54889 10.8223 3.92737 9.25444 numMergedOcc 0
47 mol 98 unq 14 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 6.65501 9.67482 7.42446 6.88901 10.4782 7.54889 10.8223 3.92737 8.46823 numMergedOcc 0
48 mol 98 unq 15 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 6.65501 9.67482 7.42446 6.88901 3.9764 5.2571 5.92242 3.94967 4.62494 numMergedOcc 0
49 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 10.6848 7.10378 14.8081 7.01812 8.4128 5.80144 9.5057 4.03277 10.5432 8.91882 12.48 6.59691 numMergedOcc 0
50 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 10.6848 7.10378 15.2289 7.01812 8.4128 10.0456 9.5057 4.03277 10.5432 11.5088 12.48 6.59691 numMergedOcc 0
51 mol 134 unq 0 iso 0 dist 9.89303 6.54501 5.79898 7.41674 5.83771 7.80532 7.69991 4.60632 5.71679 6.40575 12.847 13.0242 11.988 15.0575 9.0176 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 6.54501 9.89303 5.79898 7.41674 7.80532 5.83771 7.69991 5.71679 4.60632 6.40575 12.847 11.988 13.0242 15.0575 9.0176 numMergedOcc 0
53 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 9.87376 7.80532 10.5252 6.23142 5.71679 4.57832 6.40575 8.06642 11.988 7.21868 15.0575 9.0176 numMergedOcc 0
54 mol 134 unq 3 iso 0 dist 6.49416 6.37586 5.00817 9.87376 7.80532 10.7586 6.23142 5.71679 5.29786 6.40575 8.06642 11.988 7.93372 15.0575 9.0176 numMergedOcc 0
55 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.6251 6.2479 7.99195 12.4878 4.43096 12.2164 7.32087 11.1802 10.0802 10.9279 5.3698 9.06571 numMergedOcc 0
56 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.6251 6.2479 7.99195 12.4878 4.43096 12.2164 7.32087 12.9532 9.76212 13.2783 6.39406 7.35884 numMergedOcc 0
57 mol 181 unq 2 iso 0 dist 9.1374 5.98885 8.88798 6.6251 6.2479 7.99195 10.6908 8.04639 5.77299 8.86197 11.1802 10.0802 10.9279 5.3698 9.88897 numMergedOcc 0
58 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.6251 6.2479 12.8533 12.4878 4.43096 16.0596 7.32087 11.1802 10.0802 16.0559 5.3698 9.06571 numMergedOcc 0
59 mol 181 unq 4 iso 0 dist 9.1374 9.15386 12.1628 6.6251 6.2479 12.8533 12.4878 4.43096 16.0596 7.32087 12.9532 9.76212 18.2853 6.39406 7.35884 numMergedOcc 0
60 mol 181 unq 5 iso 0 dist 9.1374 9.15386 12.1628 6.6251 6.2479 12.8533 10.6908 8.04639 8.85666 8.86197 11.1802 10.0802 16.0559 5.3698 9.88897 numMergedOcc 0
61 mol 181 unq 6 iso 0 dist 5.98885 9.1374 8.88798 5.6044 9.72611 14.2254 11.602 12.7358 19.8145 7.22883 18.6323 18.76 25.5793 14.2282 8.12266 numMergedOcc 0
62 mol 181 unq 7 iso 0 dist 5.98885 9.1374 8.88798 5.6044 9.72611 14.2254 11.602 12.7358 19.8145 7.22883 15.5349 18.6809 22.7249 10.273 9.43306 numMergedOcc 0
63 mol 181 unq 8 iso 0 dist 5.98885 9.1374 8.88798 5.6044 9.72611 14.2254 11.602 12.7358 19.8145 7.22883 9.83826 13.7845 16.9717 5.14966 8.59681 numMergedOcc 0
64 mol 181 unq 9 iso 0 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 12.4878 12.2164 4.43096 7.32087 11.1802 10.9279 10.0802 5.3698 9.06571 numMergedOcc 0
65 mol 181 unq 10 iso 0 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 12.4878 12.2164 4.43096 7.32087 12.9532 13.2783 9.76212 6.39406 7.35884 numMergedOcc 0
66 mol 181 unq 11 iso 0 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 10.6908 5.77299 8.04639 8.86197 11.1802 10.9279 10.0802 5.3698 9.88897 numMergedOcc 0
67 mol 181 unq 12 iso 0 dist 5.98885 9.15386 5.16002 5.6044 9.72611 10.428 11.602 12.7358 11.1467 7.22883 18.6323 18.76 15.195 14.2282 8.12266 numMergedOcc 0
68 mol 181 unq 13 iso 0 dist 5.98885 9.15386 5.16002 5.6044 9.72611 10.428 11.602 12.7358 11.1467 7.22883 15.5349 18.6809 16.8506 10.273 9.43306 numMergedOcc 0
69 mol 181 unq 14 iso 0 dist 5.98885 9.15386 5.16002 5.6044 9.72611 10.428 11.602 12.7358 11.1467 7.22883 9.83826 13.7845 13.131 5.14966 8.59681 numMergedOcc 0
70 mol 181 unq 15 iso 0 dist 5.98885 9.15386 5.16002 6.6251 7.99195 12.8533 12.4878 12.2164 16.0596 7.32087 11.1802 10.9279 16.0559 5.3698 9.06571 numMergedOcc 0
71 mol 181 unq 16 iso 0 dist 5.98885 9.15386 5.16002 6.6251 7.99195 12.8533 12.4878 12.2164 16.0596 7.32087 12.9532 13.2783 18.2853 6.39406 7.35884 numMergedOcc 0
72 mol 181 unq 17 iso 0 dist 5.98885 9.15386 5.16002 6.6251 7.99195 12.8533 10.6908 5.77299 8.85666 8.86197 11.1802 10.9279 16.0559 5.3698 9.88897 numMergedOcc 0
73 mol 273 unq 0 iso 0 dist 9.01049 6.92774 7.03728 9.25493 8.49177 12.8175 11.6152 4.60101 10.8141 7.16346 16.8173 12.205 18.0933 8.43367 7.85836 numMergedOcc 0
74 mol 273 unq 1 iso 0 dist 9.01049 6.92774 7.03728 9.25493 8.49177 12.8175 11.6152 4.60101 10.8141 7.16346 12.2939 9.59325 14.6946 3.78984 6.35532 numMergedOcc 0
75 mol 273 unq 2 iso 0 dist 9.01049 9.2983 8.05475 9.25493 8.49177 12.7219 11.6152 4.60101 12.2502 7.16346 16.8173 12.205 18.8265 8.43367 7.85836 numMergedOcc 0
76 mol 273 unq 3 iso 0 dist 9.01049 9.2983 8.05475 9.25493 8.49177 12.7219 11.6152 4.60101 12.2502 7.16346 12.2939 9.59325 15.4762 3.78984 6.35532 numMergedOcc 0
