0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 6.55304 6.7985 6.14469 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.60499 6.7985 6.55304 8.43473 6.02702 6.14469 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.60499 6.02702 8.43473 12.2869 6.44736 9.97009 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.60499 6.44736 12.2869 8.43473 6.02702 9.97009 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 8.41585 5.99972 12.0193 14.7759 9.68596 14.5216 numMergedOcc 0
5 mol 7 unq 2 iso 1 dist 8.41585 9.68596 14.7759 12.0193 5.99972 14.5216 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 4.29582 7.07399 6.03257 numMergedOcc 0
7 mol 15 unq 0 iso 1 dist 8.38064 7.07399 4.29582 4.39605 7.48342 6.03257 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 8.4674 8.40416 9.74255 4.64838 6.41575 9.95212 numMergedOcc 0
9 mol 19 unq 0 iso 1 dist 8.4674 6.41575 4.64838 9.74255 8.40416 9.95212 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 4.54938 7.75618 9.74255 4.97119 6.41575 9.95212 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 4.54938 6.41575 4.97119 9.74255 7.75618 9.95212 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 4.51865 8.40416 7.08342 4.64838 6.41423 9.95212 numMergedOcc 0
13 mol 19 unq 2 iso 1 dist 4.51865 6.41423 4.64838 7.08342 8.40416 9.95212 numMergedOcc 0
14 mol 19 unq 3 iso 0 dist 6.864 7.75618 7.08342 4.97119 6.41423 9.95212 numMergedOcc 0
15 mol 19 unq 3 iso 1 dist 6.864 6.41423 4.97119 7.08342 7.75618 9.95212 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 6.66749 9.41441 8.00171 numMergedOcc 0
17 mol 24 unq 0 iso 1 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 numMergedOcc 0
19 mol 24 unq 1 iso 1 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 numMergedOcc 0
20 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 numMergedOcc 0
21 mol 24 unq 2 iso 1 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 numMergedOcc 0
22 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 numMergedOcc 0
23 mol 24 unq 3 iso 1 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 numMergedOcc 0
24 mol 24 unq 4 iso 0 dist 8.86116 8.44664 10.971 14.012 9.41441 18.7793 numMergedOcc 0
25 mol 24 unq 4 iso 1 dist 8.86116 9.41441 14.012 10.971 8.44664 18.7793 numMergedOcc 0
26 mol 24 unq 5 iso 0 dist 8.86116 9.44691 13.4893 14.012 9.41441 15.7523 numMergedOcc 0
27 mol 24 unq 5 iso 1 dist 8.86116 9.41441 14.012 13.4893 9.44691 15.7523 numMergedOcc 0
28 mol 24 unq 6 iso 0 dist 5.54419 8.4051 5.11617 5.59311 8.70827 12.8389 numMergedOcc 0
29 mol 24 unq 6 iso 1 dist 5.54419 8.70827 5.59311 5.11617 8.4051 12.8389 numMergedOcc 0
30 mol 24 unq 7 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 numMergedOcc 0
31 mol 24 unq 7 iso 1 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 numMergedOcc 0
32 mol 24 unq 8 iso 0 dist 5.54419 8.23446 13.1779 5.59311 8.70827 11.4596 numMergedOcc 0
33 mol 24 unq 8 iso 1 dist 5.54419 8.70827 5.59311 13.1779 8.23446 11.4596 numMergedOcc 0
34 mol 24 unq 9 iso 0 dist 5.54419 8.23446 13.1779 12.176 6.73939 19.0465 numMergedOcc 0
35 mol 24 unq 9 iso 1 dist 5.54419 6.73939 12.176 13.1779 8.23446 19.0465 numMergedOcc 0
36 mol 24 unq 10 iso 0 dist 5.54419 8.75662 10.8238 5.59311 8.70827 11.6684 numMergedOcc 0
37 mol 24 unq 10 iso 1 dist 5.54419 8.70827 5.59311 10.8238 8.75662 11.6684 numMergedOcc 0
38 mol 24 unq 11 iso 0 dist 5.54419 8.75662 10.8238 12.176 6.73939 15.7523 numMergedOcc 0
39 mol 24 unq 11 iso 1 dist 5.54419 6.73939 12.176 10.8238 8.75662 15.7523 numMergedOcc 0
40 mol 24 unq 12 iso 0 dist 7.36323 8.4051 13.2229 5.59311 9.12854 12.8389 numMergedOcc 0
41 mol 24 unq 12 iso 1 dist 7.36323 9.12854 5.59311 13.2229 8.4051 12.8389 numMergedOcc 0
42 mol 24 unq 13 iso 0 dist 7.36323 8.23446 6.38336 5.59311 9.12854 11.4596 numMergedOcc 0
43 mol 24 unq 13 iso 1 dist 7.36323 9.12854 5.59311 6.38336 8.23446 11.4596 numMergedOcc 0
44 mol 24 unq 14 iso 0 dist 7.36323 8.75662 6.7828 5.59311 9.12854 11.6684 numMergedOcc 0
45 mol 24 unq 14 iso 1 dist 7.36323 9.12854 5.59311 6.7828 8.75662 11.6684 numMergedOcc 0
46 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 numMergedOcc 0
47 mol 25 unq 0 iso 1 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 numMergedOcc 0
48 mol 25 unq 1 iso 0 dist 5.04899 9.01548 13.9331 5.77929 8.87757 8.88938 numMergedOcc 0
49 mol 25 unq 1 iso 1 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 numMergedOcc 0
50 mol 25 unq 2 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 numMergedOcc 0
51 mol 25 unq 2 iso 1 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 numMergedOcc 0
52 mol 25 unq 3 iso 0 dist 7.57578 7.92503 6.11127 6.08585 8.50222 11.4912 numMergedOcc 0
53 mol 25 unq 3 iso 1 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 numMergedOcc 0
54 mol 25 unq 4 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 numMergedOcc 0
55 mol 25 unq 4 iso 1 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 numMergedOcc 0
56 mol 25 unq 5 iso 0 dist 7.17969 7.92503 5.30154 6.08585 7.55264 11.4912 numMergedOcc 0
57 mol 25 unq 5 iso 1 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 numMergedOcc 0
58 mol 25 unq 6 iso 0 dist 6.03987 8.6653 5.82503 5.68392 6.85556 12.0452 numMergedOcc 0
59 mol 25 unq 6 iso 1 dist 6.03987 6.85556 5.68392 5.82503 8.6653 12.0452 numMergedOcc 0
60 mol 54 unq 0 iso 0 dist 6.83299 7.21717 13.86 4.29856 6.14538 10.7227 numMergedOcc 0
61 mol 54 unq 0 iso 1 dist 6.83299 6.14538 4.29856 13.86 7.21717 10.7227 numMergedOcc 0
62 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 5.78774 9.92355 10.2007 numMergedOcc 0
63 mol 58 unq 0 iso 1 dist 6.86465 9.92355 5.78774 10.2049 8.80614 10.2007 numMergedOcc 0
64 mol 58 unq 1 iso 0 dist 6.62496 8.80614 9.95364 5.78774 5.93884 10.2007 numMergedOcc 0
65 mol 58 unq 1 iso 1 dist 6.62496 5.93884 5.78774 9.95364 8.80614 10.2007 numMergedOcc 0
66 mol 58 unq 2 iso 0 dist 6.35756 8.80614 5.49591 5.78774 7.68678 10.2007 numMergedOcc 0
67 mol 58 unq 2 iso 1 dist 6.35756 7.68678 5.78774 5.49591 8.80614 10.2007 numMergedOcc 0
68 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 numMergedOcc 0
69 mol 98 unq 0 iso 1 dist 5.08437 6.7117 7.06961 4.4057 6.65501 6.88901 numMergedOcc 0
70 mol 98 unq 1 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 numMergedOcc 0
71 mol 98 unq 1 iso 1 dist 6.10456 4.47349 7.06961 9.67482 6.65501 6.88901 numMergedOcc 0
72 mol 100 unq 0 iso 0 dist 7.17106 7.10378 10.6848 8.4128 7.01812 9.5057 numMergedOcc 0
73 mol 100 unq 0 iso 1 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 numMergedOcc 0
74 mol 100 unq 1 iso 0 dist 7.47343 7.38135 11.2312 12.2861 8.30845 17.21 numMergedOcc 0
75 mol 100 unq 1 iso 1 dist 7.47343 8.30845 12.2861 11.2312 7.38135 17.21 numMergedOcc 0
76 mol 100 unq 2 iso 0 dist 7.47343 7.38135 11.2312 15.5385 8.76378 18.3027 numMergedOcc 0
77 mol 100 unq 2 iso 1 dist 7.47343 8.76378 15.5385 11.2312 7.38135 18.3027 numMergedOcc 0
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79 mol 119 unq 0 iso 1 dist 6.18601 6.73586 5.13589 10.4376 8.00003 13.0074 numMergedOcc 0
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81 mol 129 unq 0 iso 1 dist 5.83384 6.28565 4.55551 10.7293 9.36851 9.73158 numMergedOcc 0
82 mol 129 unq 1 iso 0 dist 5.83384 9.36851 10.7293 10.5488 7.58957 16.1714 numMergedOcc 0
83 mol 129 unq 1 iso 1 dist 5.83384 7.58957 10.5488 10.7293 9.36851 16.1714 numMergedOcc 0
84 mol 129 unq 2 iso 0 dist 5.83384 4.97175 7.29399 4.55551 6.28565 7.59327 numMergedOcc 0
85 mol 129 unq 2 iso 1 dist 5.83384 6.28565 4.55551 7.29399 4.97175 7.59327 numMergedOcc 0
86 mol 129 unq 3 iso 0 dist 5.83384 4.97175 7.29399 10.5488 7.58957 13.8117 numMergedOcc 0
87 mol 129 unq 3 iso 1 dist 5.83384 7.58957 10.5488 7.29399 4.97175 13.8117 numMergedOcc 0
88 mol 131 unq 0 iso 0 dist 6.85062 9.90168 13.7237 14.2045 8.70296 18.6956 numMergedOcc 0
89 mol 131 unq 0 iso 1 dist 6.85062 8.70296 14.2045 13.7237 9.90168 18.6956 numMergedOcc 0
90 mol 131 unq 1 iso 0 dist 6.85062 9.90168 13.7237 5.09131 9.25558 13.2952 numMergedOcc 0
91 mol 131 unq 1 iso 1 dist 6.85062 9.25558 5.09131 13.7237 9.90168 13.2952 numMergedOcc 0
92 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 4.60632 7.69991 6.40575 numMergedOcc 0
93 mol 134 unq 0 iso 1 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 numMergedOcc 0
94 mol 134 unq 1 iso 0 dist 6.54501 7.80532 7.41674 5.71679 7.69991 6.40575 numMergedOcc 0
95 mol 134 unq 1 iso 1 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 numMergedOcc 0
96 mol 134 unq 2 iso 0 dist 6.49416 7.80532 9.87376 5.71679 6.23142 6.40575 numMergedOcc 0
97 mol 134 unq 2 iso 1 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 numMergedOcc 0
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99 mol 156 unq 0 iso 1 dist 7.44554 9.44367 5.4555 5.71511 9.4013 8.37434 numMergedOcc 0
100 mol 156 unq 1 iso 0 dist 7.44554 9.4013 5.71511 11.9952 9.47433 14.1424 numMergedOcc 0
101 mol 156 unq 1 iso 1 dist 7.44554 9.47433 11.9952 5.71511 9.4013 14.1424 numMergedOcc 0
102 mol 156 unq 2 iso 0 dist 8.94056 9.4013 6.13574 5.4555 7.90267 8.37434 numMergedOcc 0
103 mol 156 unq 2 iso 1 dist 8.94056 7.90267 5.4555 6.13574 9.4013 8.37434 numMergedOcc 0
104 mol 181 unq 0 iso 0 dist 9.1374 8.90963 8.91338 6.6251 6.2479 12.1629 numMergedOcc 0
105 mol 181 unq 0 iso 1 dist 9.1374 6.2479 6.6251 8.91338 8.90963 12.1629 numMergedOcc 0
106 mol 181 unq 1 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 numMergedOcc 0
107 mol 181 unq 1 iso 1 dist 8.03334 6.2479 7.81713 4.43096 6.46704 7.32087 numMergedOcc 0
108 mol 181 unq 2 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 numMergedOcc 0
109 mol 181 unq 2 iso 1 dist 8.03334 6.2479 7.81713 8.04639 6.59025 8.86197 numMergedOcc 0
110 mol 181 unq 3 iso 0 dist 5.98885 8.90963 9.81073 5.6044 9.72611 10.515 numMergedOcc 0
111 mol 181 unq 3 iso 1 dist 5.98885 9.72611 5.6044 9.81073 8.90963 10.515 numMergedOcc 0
112 mol 181 unq 4 iso 0 dist 5.98885 8.90963 9.81073 6.6251 7.99195 12.1629 numMergedOcc 0
113 mol 181 unq 4 iso 1 dist 5.98885 7.99195 6.6251 9.81073 8.90963 12.1629 numMergedOcc 0
114 mol 181 unq 5 iso 0 dist 7.81386 9.39829 7.20191 7.77758 5.94469 11.8933 numMergedOcc 0
115 mol 181 unq 5 iso 1 dist 7.81386 5.94469 7.77758 7.20191 9.39829 11.8933 numMergedOcc 0
116 mol 181 unq 6 iso 0 dist 7.63312 5.9176 5.63555 12.5387 5.94469 10.3104 numMergedOcc 0
117 mol 181 unq 6 iso 1 dist 7.63312 5.94469 12.5387 5.63555 5.9176 10.3104 numMergedOcc 0
118 mol 181 unq 7 iso 0 dist 7.63312 6.41453 7.20191 12.5387 5.94469 11.8933 numMergedOcc 0
119 mol 181 unq 7 iso 1 dist 7.63312 5.94469 12.5387 7.20191 6.41453 11.8933 numMergedOcc 0
120 mol 204 unq 0 iso 0 dist 8.51516 9.68728 10.8573 5.86489 7.32294 10.2072 numMergedOcc 0
121 mol 204 unq 0 iso 1 dist 8.51516 7.32294 5.86489 10.8573 9.68728 10.2072 numMergedOcc 0
122 mol 205 unq 0 iso 0 dist 7.26832 5.44002 10.3603 12.4957 6.03688 15.3509 numMergedOcc 0
123 mol 205 unq 0 iso 1 dist 7.26832 6.03688 12.4957 10.3603 5.44002 15.3509 numMergedOcc 0
124 mol 231 unq 0 iso 0 dist 7.37839 6.98875 6.37275 9.0443 7.79066 12.7246 numMergedOcc 0
125 mol 231 unq 0 iso 1 dist 7.37839 7.79066 9.0443 6.37275 6.98875 12.7246 numMergedOcc 0
126 mol 231 unq 1 iso 0 dist 8.40182 6.54852 6.37275 12.1512 7.79066 12.7246 numMergedOcc 0
127 mol 231 unq 1 iso 1 dist 8.40182 7.79066 12.1512 6.37275 6.54852 12.7246 numMergedOcc 0
128 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 4.9377 9.40808 9.8664 numMergedOcc 0
129 mol 232 unq 0 iso 1 dist 8.27212 9.40808 4.9377 8.80479 9.05071 9.8664 numMergedOcc 0
130 mol 264 unq 0 iso 0 dist 6.24356 7.16853 5.00209 7.52936 5.93616 10.3854 numMergedOcc 0
131 mol 264 unq 0 iso 1 dist 6.24356 5.93616 7.52936 5.00209 7.16853 10.3854 numMergedOcc 0
132 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 6.20558 9.85289 6.88827 numMergedOcc 0
133 mol 274 unq 0 iso 1 dist 7.56915 9.85289 6.20558 5.29529 8.52587 6.88827 numMergedOcc 0
