0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.48342 4.39605 12.1303 4.29582 7.07399 11.7302 6.03257 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 8.40416 9.74255 7.08342 4.64838 6.41575 6.41423 9.95212 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 6.41575 4.64838 4.97119 9.74255 8.40416 7.75618 9.95212 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 9.74255 8.40416 12.3215 9.95212 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 7.75618 9.74255 4.96411 4.97119 6.41575 10.741 9.95212 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 7.75618 9.74255 7.08342 4.97119 6.41575 6.41423 9.95212 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 9.74255 7.75618 8.40416 9.95212 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 9.74255 7.75618 12.3215 9.95212 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 4.64838 6.41423 6.41575 9.95212 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 4.51865 6.864 7.67038 6.41423 4.64838 4.97119 7.08342 8.40416 7.75618 9.95212 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 4.97119 6.41423 10.741 9.95212 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 4.97119 6.41423 6.41575 9.95212 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 7.08342 7.75618 8.40416 9.95212 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 4.32034 7.33768 12.9284 8.00171 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.67951 9.01567 13.4393 4.2121 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.52463 7.29868 8.60554 6.72323 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.012 9.41441 15.392 6.72323 numMergedOcc 0
17 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 14.012 9.41441 15.392 18.7793 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 14.012 9.41441 15.392 15.7523 numMergedOcc 0
19 mol 24 unq 6 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 8.52463 8.60554 7.29868 6.72323 numMergedOcc 0
20 mol 24 unq 7 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 10.971 8.44664 16.1126 18.7793 numMergedOcc 0
21 mol 24 unq 8 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 13.4893 9.44691 15.8209 15.7523 numMergedOcc 0
22 mol 24 unq 9 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 5.59311 8.70827 9.12854 12.8389 numMergedOcc 0
23 mol 24 unq 10 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 12.176 6.73939 18.673 6.72323 numMergedOcc 0
24 mol 24 unq 11 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 5.59311 8.70827 9.12854 11.4596 numMergedOcc 0
25 mol 24 unq 12 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 12.176 6.73939 18.673 19.0465 numMergedOcc 0
26 mol 24 unq 13 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 5.59311 8.70827 9.12854 11.6684 numMergedOcc 0
27 mol 24 unq 14 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 12.176 6.73939 18.673 15.7523 numMergedOcc 0
28 mol 24 unq 15 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 5.59311 9.12854 8.70827 12.8389 numMergedOcc 0
29 mol 24 unq 16 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.59311 9.12854 8.70827 11.4596 numMergedOcc 0
30 mol 24 unq 17 iso 0 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 5.59311 9.12854 8.70827 11.6684 numMergedOcc 0
31 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.16347 9.34396 10.8498 6.08585 8.50222 7.55264 6.25843 numMergedOcc 0
32 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 7.92503 6.11127 5.30154 6.08585 8.50222 7.55264 11.4912 numMergedOcc 0
33 mol 25 unq 2 iso 0 dist 7.17969 7.57578 4.33106 6.16347 10.8498 9.34396 6.08585 7.55264 8.50222 6.25843 numMergedOcc 0
34 mol 25 unq 3 iso 0 dist 7.17969 7.57578 4.33106 7.92503 5.30154 6.11127 6.08585 7.55264 8.50222 11.4912 numMergedOcc 0
35 mol 25 unq 4 iso 0 dist 6.03987 7.31767 4.51512 8.6653 5.82503 5.64303 5.68392 6.85556 9.79094 12.0452 numMergedOcc 0
36 mol 54 unq 0 iso 0 dist 6.83299 9.5589 5.08001 7.21717 13.86 15.293 4.29856 6.14538 10.6808 10.7227 numMergedOcc 0
37 mol 54 unq 1 iso 0 dist 6.83299 8.10861 14.2075 7.21717 13.86 5.99981 4.29856 6.14538 10.4158 10.7227 numMergedOcc 0
38 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 5.78774 9.92355 5.93884 10.2007 numMergedOcc 0
39 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 5.78774 9.92355 7.68678 10.2007 numMergedOcc 0
40 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 5.78774 5.93884 9.92355 10.2007 numMergedOcc 0
41 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 5.78774 5.93884 7.68678 10.2007 numMergedOcc 0
42 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.78774 7.68678 9.92355 10.2007 numMergedOcc 0
43 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.78774 7.68678 5.93884 10.2007 numMergedOcc 0
44 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 7.06961 6.7117 9.42961 6.88901 numMergedOcc 0
45 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 7.06961 6.7117 4.47349 6.88901 numMergedOcc 0
46 mol 98 unq 2 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 7.06961 4.47349 6.7117 6.88901 numMergedOcc 0
47 mol 98 unq 3 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.06961 4.47349 9.42961 6.88901 numMergedOcc 0
48 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 7.01812 8.4128 5.80144 10.6848 7.10378 14.8081 9.5057 numMergedOcc 0
49 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 7.01812 8.4128 10.0456 10.6848 7.10378 15.2289 9.5057 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 7.38135 11.2312 7.11701 12.2861 8.30845 10.6086 17.21 numMergedOcc 0
51 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 7.38135 11.2312 7.11701 15.5385 8.76378 13.2102 18.3027 numMergedOcc 0
52 mol 100 unq 4 iso 0 dist 7.47343 8.86688 10.1407 7.38135 11.2312 7.79768 12.2861 8.30845 18.1777 17.21 numMergedOcc 0
53 mol 100 unq 5 iso 0 dist 7.47343 8.86688 10.1407 7.38135 11.2312 7.79768 15.5385 8.76378 14.0386 18.3027 numMergedOcc 0
54 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 11.2312 7.38135 15.4031 17.21 numMergedOcc 0
55 mol 100 unq 7 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 11.2312 7.38135 15.4031 18.3027 numMergedOcc 0
56 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 11.2312 7.38135 17.2419 17.21 numMergedOcc 0
57 mol 100 unq 9 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 11.2312 7.38135 17.2419 18.3027 numMergedOcc 0
58 mol 100 unq 10 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 11.2312 7.38135 19.8941 17.21 numMergedOcc 0
59 mol 100 unq 11 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 11.2312 7.38135 19.8941 18.3027 numMergedOcc 0
60 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 6.28565 4.55551 6.30169 10.7293 9.36851 16.0242 9.73158 numMergedOcc 0
61 mol 129 unq 1 iso 0 dist 5.83384 9.61051 9.05135 6.28565 4.55551 6.30169 7.29399 4.97175 13.4182 7.59327 numMergedOcc 0
62 mol 129 unq 2 iso 0 dist 5.83384 9.61051 9.05135 7.58957 10.5488 5.68211 10.7293 9.36851 16.0242 16.1714 numMergedOcc 0
63 mol 129 unq 3 iso 0 dist 5.83384 9.61051 9.05135 7.58957 10.5488 5.68211 7.29399 4.97175 13.4182 13.8117 numMergedOcc 0
64 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 9.90168 13.7237 7.7567 14.2045 8.70296 18.0058 18.6956 numMergedOcc 0
65 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 9.90168 13.7237 7.7567 5.09131 9.25558 13.44 13.2952 numMergedOcc 0
66 mol 131 unq 2 iso 0 dist 6.85062 7.12972 6.63273 9.90168 13.7237 8.23791 14.2045 8.70296 12.6227 18.6956 numMergedOcc 0
67 mol 131 unq 3 iso 0 dist 6.85062 7.12972 6.63273 9.90168 13.7237 8.23791 5.09131 9.25558 11.586 13.2952 numMergedOcc 0
68 mol 134 unq 0 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 7.41674 5.83771 7.80532 6.40575 numMergedOcc 0
69 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 7.80532 7.41674 9.87376 5.71679 7.69991 6.23142 6.40575 numMergedOcc 0
70 mol 134 unq 2 iso 0 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 7.41674 7.80532 5.83771 6.40575 numMergedOcc 0
71 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 7.80532 9.87376 7.41674 5.71679 6.23142 7.69991 6.40575 numMergedOcc 0
72 mol 134 unq 4 iso 0 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 9.87376 7.80532 10.5252 6.40575 numMergedOcc 0
73 mol 134 unq 5 iso 0 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 9.87376 7.80532 10.7586 6.40575 numMergedOcc 0
74 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 9.4013 5.71511 6.13574 5.4555 9.44367 7.90267 8.37434 numMergedOcc 0
75 mol 156 unq 1 iso 0 dist 7.44554 8.94056 5.56175 9.4013 5.71511 6.13574 11.9952 9.47433 14.7758 14.1424 numMergedOcc 0
76 mol 156 unq 2 iso 0 dist 7.44554 9.83699 8.38403 9.4013 5.71511 5.80008 5.4555 9.44367 10.3379 8.37434 numMergedOcc 0
77 mol 156 unq 3 iso 0 dist 7.44554 9.83699 8.38403 9.4013 5.71511 5.80008 11.9952 9.47433 13.0431 14.1424 numMergedOcc 0
78 mol 156 unq 4 iso 0 dist 8.94056 7.44554 5.56175 9.4013 6.13574 5.71511 5.4555 7.90267 9.44367 8.37434 numMergedOcc 0
79 mol 156 unq 5 iso 0 dist 8.94056 9.83699 11.2719 9.4013 6.13574 5.80008 5.4555 7.90267 10.3379 8.37434 numMergedOcc 0
80 mol 156 unq 6 iso 0 dist 8.94056 7.66148 10.1658 7.90267 5.4555 6.03934 6.13574 9.4013 11.1147 8.37434 numMergedOcc 0
81 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 8.90963 8.91338 9.81073 6.6251 6.2479 7.99195 12.1629 numMergedOcc 0
82 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 8.90963 8.91338 9.34211 6.6251 6.2479 12.8533 12.1629 numMergedOcc 0
83 mol 181 unq 2 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 8.91338 8.90963 16.082 12.1629 numMergedOcc 0
84 mol 181 unq 3 iso 0 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 4.43096 6.46704 12.4878 7.32087 numMergedOcc 0
85 mol 181 unq 4 iso 0 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 8.04639 6.59025 10.6908 8.86197 numMergedOcc 0
86 mol 181 unq 5 iso 0 dist 5.98885 9.1374 8.88798 8.90963 9.81073 8.91338 5.6044 9.72611 14.2254 10.515 numMergedOcc 0
87 mol 181 unq 6 iso 0 dist 5.98885 9.1374 8.88798 8.90963 9.81073 8.91338 6.6251 7.99195 6.2479 12.1629 numMergedOcc 0
88 mol 181 unq 7 iso 0 dist 5.98885 9.15386 5.16002 8.90963 9.81073 9.34211 5.6044 9.72611 10.428 10.515 numMergedOcc 0
89 mol 181 unq 8 iso 0 dist 5.98885 9.15386 5.16002 8.90963 9.81073 9.34211 6.6251 7.99195 12.8533 12.1629 numMergedOcc 0
90 mol 181 unq 9 iso 0 dist 5.98885 9.09537 10.1912 9.72611 5.6044 12.9468 9.81073 8.90963 18.0578 10.515 numMergedOcc 0
91 mol 181 unq 10 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 9.81073 8.90963 18.0578 12.1629 numMergedOcc 0
92 mol 181 unq 11 iso 0 dist 7.81386 7.63312 8.85576 5.94469 7.77758 12.5387 7.20191 9.39829 6.41453 11.8933 numMergedOcc 0
93 mol 181 unq 12 iso 0 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 5.63555 5.9176 10.4943 10.3104 numMergedOcc 0
94 mol 181 unq 13 iso 0 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 7.20191 6.41453 9.39829 11.8933 numMergedOcc 0
95 mol 204 unq 0 iso 0 dist 8.51516 7.10633 10.8344 9.68728 10.8573 7.67571 5.86489 7.32294 11.5776 10.2072 numMergedOcc 0
96 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 6.03688 12.4957 8.15057 10.3603 5.44002 12.3113 15.3509 numMergedOcc 0
97 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 6.03688 12.4957 6.09749 10.3603 5.44002 17.9798 15.3509 numMergedOcc 0
98 mol 231 unq 0 iso 0 dist 7.37839 8.40182 4.06055 7.79066 9.0443 12.1512 6.37275 6.98875 6.54852 12.7246 numMergedOcc 0
99 mol 231 unq 1 iso 0 dist 8.40182 7.37839 4.06055 7.79066 12.1512 9.0443 6.37275 6.54852 6.98875 12.7246 numMergedOcc 0
100 mol 264 unq 0 iso 0 dist 6.24356 9.361 10.3202 7.16853 5.00209 11.1431 7.52936 5.93616 13.2142 10.3854 numMergedOcc 0
101 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 9.85289 6.20558 11.4459 5.29529 8.52587 11.6126 6.88827 numMergedOcc 0
