0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 4.29582 7.07399 11.7302 7.48342 4.39605 12.1303 6.03257 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.97507 6.82505 5.17568 12.1303 7.48342 11.2317 11.7302 4.29582 8.72342 6.03257 numMergedOcc 0
2 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 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 9.74255 8.40416 7.75618 6.41575 4.64838 4.97119 9.95212 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 9.74255 8.40416 12.3215 6.41575 4.64838 6.01808 9.95212 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 4.97119 6.41575 10.741 7.75618 9.74255 4.96411 9.95212 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 4.97119 6.41575 6.41423 7.75618 9.74255 7.08342 9.95212 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 9.74255 7.75618 8.40416 6.41575 4.97119 4.64838 9.95212 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 4.54938 7.82074 5.03957 9.74255 7.75618 12.3215 6.41575 4.97119 6.01808 9.95212 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 4.51865 8.4674 5.80928 4.64838 6.41423 6.41575 8.40416 7.08342 9.74255 9.95212 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 4.51865 6.864 7.67038 7.08342 8.40416 7.75618 6.41423 4.64838 4.97119 9.95212 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 6.864 7.20519 7.07775 4.97119 6.41423 10.741 7.75618 7.08342 4.96411 9.95212 numMergedOcc 0
12 mol 19 unq 10 iso 0 dist 6.864 4.54938 5.80928 4.97119 6.41423 6.41575 7.75618 7.08342 9.74255 9.95212 numMergedOcc 0
13 mol 19 unq 11 iso 0 dist 6.864 4.51865 7.67038 7.08342 7.75618 8.40416 6.41423 4.97119 4.64838 9.95212 numMergedOcc 0
14 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 numMergedOcc 0
15 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 9.41441 6.66749 14.012 4.2121 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 9.41441 6.66749 14.012 6.72323 numMergedOcc 0
17 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 12.9284 4.32034 10.1325 8.00171 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 17.592 12.2662 17.3058 5.95834 numMergedOcc 0
19 mol 24 unq 5 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 13.4393 8.67951 13.6595 4.2121 numMergedOcc 0
20 mol 24 unq 6 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 8.60554 8.52463 12.3994 6.72323 numMergedOcc 0
21 mol 24 unq 7 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 9.41441 14.012 6.66749 6.72323 numMergedOcc 0
22 mol 24 unq 8 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 11.3566 6.56748 18.1606 5.95834 numMergedOcc 0
23 mol 24 unq 9 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 9.83002 4.50066 16.0443 4.2121 numMergedOcc 0
24 mol 24 unq 10 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 16.8439 11.9112 21.6951 8.00171 numMergedOcc 0
25 mol 24 unq 11 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 8.4051 5.11617 13.2229 6.72323 numMergedOcc 0
26 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 numMergedOcc 0
27 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 13.8469 10.5328 10.4337 8.88938 numMergedOcc 0
28 mol 25 unq 2 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 6.16347 10.8498 9.34396 6.25843 numMergedOcc 0
29 mol 25 unq 3 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 13.8469 10.4337 10.5328 8.88938 numMergedOcc 0
30 mol 54 unq 0 iso 0 dist 6.83299 9.5589 5.08001 4.29856 6.14538 10.6808 10.4031 4.24786 6.14008 9.17082 numMergedOcc 0
31 mol 54 unq 1 iso 0 dist 6.83299 8.10861 14.2075 4.29856 6.14538 10.4158 10.4031 4.24786 16.6771 9.17082 numMergedOcc 0
32 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 numMergedOcc 0
33 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 numMergedOcc 0
34 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 5.11416 9.24757 13.8696 12.1382 6.29906 20.1729 8.87464 numMergedOcc 0
35 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 5.11416 9.24757 13.0145 12.1382 6.29906 14.8598 8.87464 numMergedOcc 0
36 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 14.4725 10.4987 12.568 9.66222 numMergedOcc 0
37 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 17.5738 10.4987 12.568 9.66222 numMergedOcc 0
38 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 13.5116 9.82915 14.4382 17.5738 10.4987 16.8261 9.66222 numMergedOcc 0
39 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 numMergedOcc 0
40 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 6.65501 4.4057 7.42446 6.88901 numMergedOcc 0
41 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 11.3043 7.94178 9.85543 7.36769 numMergedOcc 0
42 mol 98 unq 3 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 6.65501 4.4057 9.67482 6.88901 numMergedOcc 0
43 mol 98 unq 4 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 11.3043 9.85543 7.94178 7.36769 numMergedOcc 0
44 mol 98 unq 5 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 6.65501 9.67482 4.4057 6.88901 numMergedOcc 0
45 mol 98 unq 6 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 11.3043 9.85543 15.7178 7.36769 numMergedOcc 0
46 mol 98 unq 7 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 6.65501 9.67482 7.42446 6.88901 numMergedOcc 0
47 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 5.80144 7.01812 8.30845 14.8081 10.6848 15.3454 9.5057 numMergedOcc 0
48 mol 100 unq 1 iso 0 dist 7.17106 9.60661 11.5403 10.6848 7.10378 14.8081 7.01812 8.4128 5.80144 9.5057 numMergedOcc 0
49 mol 100 unq 2 iso 0 dist 7.17106 9.60661 11.5403 10.6848 7.10378 14.8081 10.4538 7.96533 10.4306 5.75014 numMergedOcc 0
50 mol 100 unq 3 iso 0 dist 7.17106 9.35224 8.87654 10.6848 7.10378 15.2289 7.01812 8.4128 10.0456 9.5057 numMergedOcc 0
51 mol 100 unq 4 iso 0 dist 7.17106 9.35224 8.87654 10.6848 7.10378 15.2289 10.4538 7.96533 12.9811 5.75014 numMergedOcc 0
52 mol 100 unq 5 iso 0 dist 9.35224 6.56369 5.88134 10.0456 7.01812 8.30845 15.2289 10.6848 15.3454 9.5057 numMergedOcc 0
53 mol 100 unq 6 iso 0 dist 7.47343 6.45675 5.33144 12.2861 8.30845 10.6086 21.075 15.3454 17.331 9.5057 numMergedOcc 0
54 mol 100 unq 7 iso 0 dist 7.47343 8.86688 10.1407 12.2861 8.30845 18.1777 21.075 15.3454 25.2259 9.5057 numMergedOcc 0
55 mol 100 unq 8 iso 0 dist 6.65086 9.60661 5.88134 5.80144 8.30845 7.01812 14.8081 15.3454 10.6848 9.5057 numMergedOcc 0
56 mol 100 unq 9 iso 0 dist 6.56369 9.35224 5.88134 10.0456 8.30845 7.01812 15.2289 15.3454 10.6848 9.5057 numMergedOcc 0
57 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 10.7293 9.36851 16.0242 6.28565 4.55551 6.30169 9.73158 numMergedOcc 0
58 mol 129 unq 1 iso 0 dist 5.83384 9.61051 9.05135 7.29399 4.97175 13.4182 6.28565 4.55551 6.30169 7.59327 numMergedOcc 0
59 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 4.54648 6.16242 5.87634 10.9581 12.131 14.8102 8.95662 numMergedOcc 0
60 mol 133 unq 1 iso 0 dist 6.29155 8.00618 11.965 4.54648 6.16242 10.9061 10.9581 12.131 18.5594 8.95662 numMergedOcc 0
61 mol 133 unq 2 iso 0 dist 6.80239 6.29155 7.81217 4.54648 5.87634 6.16242 10.9581 14.8102 12.131 8.95662 numMergedOcc 0
62 mol 133 unq 3 iso 0 dist 6.80239 8.00618 7.79672 4.54648 5.87634 10.9061 10.9581 14.8102 18.5594 8.95662 numMergedOcc 0
63 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 numMergedOcc 0
64 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 5.71679 7.69991 6.23142 7.80532 7.41674 9.87376 6.40575 numMergedOcc 0
65 mol 134 unq 2 iso 0 dist 6.54501 9.89303 5.79898 7.41674 7.80532 5.83771 7.69991 5.71679 4.60632 6.40575 numMergedOcc 0
66 mol 134 unq 3 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 10.5252 9.87376 14.9876 6.40575 numMergedOcc 0
67 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 10.7586 9.87376 14.9876 6.40575 numMergedOcc 0
68 mol 134 unq 5 iso 0 dist 6.49416 6.54501 5.00526 5.71679 6.23142 7.69991 7.80532 9.87376 7.41674 6.40575 numMergedOcc 0
69 mol 134 unq 6 iso 0 dist 6.49416 8.94367 8.80819 9.87376 7.80532 10.5252 6.23142 5.71679 4.57832 6.40575 numMergedOcc 0
70 mol 134 unq 7 iso 0 dist 6.49416 6.37586 5.00817 9.87376 7.80532 10.7586 6.23142 5.71679 5.29786 6.40575 numMergedOcc 0
71 mol 134 unq 8 iso 0 dist 9.86662 8.94367 6.81259 4.57832 9.94764 6.23142 10.5252 14.9876 9.87376 6.40575 numMergedOcc 0
72 mol 134 unq 9 iso 0 dist 9.71307 6.37586 6.81259 5.29786 9.94764 6.23142 10.7586 14.9876 9.87376 6.40575 numMergedOcc 0
73 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 5.4555 9.44367 7.90267 9.4013 5.71511 6.13574 8.37434 numMergedOcc 0
74 mol 156 unq 1 iso 0 dist 7.44554 9.83699 8.38403 5.4555 9.44367 10.3379 9.4013 5.71511 5.80008 8.37434 numMergedOcc 0
75 mol 156 unq 2 iso 0 dist 8.94056 7.44554 5.56175 5.4555 7.90267 9.44367 9.4013 6.13574 5.71511 8.37434 numMergedOcc 0
76 mol 156 unq 3 iso 0 dist 8.94056 9.83699 11.2719 5.4555 7.90267 10.3379 9.4013 6.13574 5.80008 8.37434 numMergedOcc 0
77 mol 156 unq 4 iso 0 dist 8.94056 7.66148 10.1658 6.13574 9.4013 11.1147 7.90267 5.4555 6.03934 8.37434 numMergedOcc 0
78 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 numMergedOcc 0
79 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.6251 6.2479 7.99195 10.6908 8.04639 5.77299 8.86197 numMergedOcc 0
80 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.6251 6.2479 12.8533 12.4878 4.43096 16.0596 7.32087 numMergedOcc 0
81 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.6251 6.2479 12.8533 10.6908 8.04639 8.85666 8.86197 numMergedOcc 0
82 mol 181 unq 4 iso 0 dist 8.03334 9.1374 13.2049 4.43096 6.46704 12.4878 6.2479 7.81713 6.6251 7.32087 numMergedOcc 0
83 mol 181 unq 5 iso 0 dist 8.03334 9.1374 13.2049 8.04639 6.59025 10.6908 6.2479 7.81713 6.6251 8.86197 numMergedOcc 0
84 mol 181 unq 6 iso 0 dist 8.03334 9.1374 13.2049 8.04639 6.59025 10.6908 12.8648 7.16549 14.4891 5.94379 numMergedOcc 0
85 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 numMergedOcc 0
86 mol 181 unq 8 iso 0 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 12.4878 12.2164 4.43096 7.32087 numMergedOcc 0
87 mol 181 unq 9 iso 0 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 10.6908 5.77299 8.04639 8.86197 numMergedOcc 0
88 mol 181 unq 10 iso 0 dist 5.98885 9.15386 5.16002 5.6044 9.72611 10.428 11.602 12.7358 11.1467 7.22883 numMergedOcc 0
89 mol 181 unq 11 iso 0 dist 5.98885 9.15386 5.16002 6.6251 7.99195 12.8533 12.4878 12.2164 16.0596 7.32087 numMergedOcc 0
90 mol 181 unq 12 iso 0 dist 5.98885 9.15386 5.16002 6.6251 7.99195 12.8533 10.6908 5.77299 8.85666 8.86197 numMergedOcc 0
91 mol 181 unq 13 iso 0 dist 7.63312 7.81386 8.85576 5.63555 5.9176 10.4943 11.9764 6.29863 14.4964 7.22883 numMergedOcc 0
92 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 numMergedOcc 0
93 mol 273 unq 1 iso 0 dist 9.01049 9.2983 8.05475 9.25493 8.49177 12.7219 11.6152 4.60101 12.2502 7.16346 numMergedOcc 0
94 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 5.29529 8.52587 11.6126 9.85289 6.20558 11.4459 6.88827 numMergedOcc 0
95 mol 274 unq 1 iso 0 dist 7.56915 8.49997 6.33073 5.29529 8.52587 11.6126 14.1515 16.3619 19.3878 9.16942 numMergedOcc 0
