0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 11.8172 11.0773 8.72114 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60499 6.7985 6.55304 9.0379 10.6581 9.68596 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.41585 5.99972 12.0193 5.13353 11.659 9.68006 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.41585 9.68596 14.7759 9.0379 16.7601 6.7985 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 8.72114 13.8829 11.8172 18.3807 6.02702 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 8.96553 8.53529 4.36226 12.4076 10.9634 7.03958 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 8.96553 8.53529 4.36226 8.4069 9.62879 7.18019 numMergedOcc 0
7 mol 8 unq 2 iso 0 dist 8.96553 8.53529 4.36226 12.9016 12.4058 8.44009 numMergedOcc 0
8 mol 8 unq 3 iso 0 dist 9.62879 7.18019 4.36226 10.9495 10.9634 7.03958 numMergedOcc 0
9 mol 8 unq 4 iso 0 dist 9.62879 7.18019 4.36226 8.4069 8.96553 8.53529 numMergedOcc 0
10 mol 8 unq 5 iso 0 dist 9.62879 7.18019 4.36226 6.23795 12.4058 8.44009 numMergedOcc 0
11 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 11.7498 10.6338 6.42748 numMergedOcc 0
12 mol 15 unq 1 iso 0 dist 8.38064 7.07399 4.29582 11.0528 9.88835 5.89412 numMergedOcc 0
13 mol 15 unq 2 iso 0 dist 9.97507 7.48342 12.1303 11.7498 18.3783 6.42748 numMergedOcc 0
14 mol 16 unq 0 iso 0 dist 4.86568 6.62144 5.39089 10.6922 11.8757 7.47858 numMergedOcc 0
15 mol 16 unq 1 iso 0 dist 4.7319 6.72833 6.51133 10.4852 11.6856 6.93532 numMergedOcc 0
16 mol 16 unq 2 iso 0 dist 5.05803 6.93532 5.30082 10.4852 11.0958 6.72833 numMergedOcc 0
17 mol 16 unq 3 iso 0 dist 6.31718 6.93532 10.4366 10.4852 15.8605 6.72833 numMergedOcc 0
18 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 7.67038 10.4091 8.40416 numMergedOcc 0
19 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 7.67038 4.54938 7.75618 numMergedOcc 0
20 mol 19 unq 2 iso 0 dist 8.4674 6.41575 4.64838 5.80928 4.51865 6.41423 numMergedOcc 0
21 mol 19 unq 3 iso 0 dist 4.54938 7.75618 9.74255 7.67038 8.4674 8.40416 numMergedOcc 0
22 mol 19 unq 4 iso 0 dist 4.54938 6.41575 4.97119 5.80928 6.864 6.41423 numMergedOcc 0
23 mol 19 unq 5 iso 0 dist 7.82074 6.41575 6.01808 5.80928 11.0366 6.41423 numMergedOcc 0
24 mol 19 unq 6 iso 0 dist 4.51865 8.40416 7.08342 7.67038 6.864 7.75618 numMergedOcc 0
25 mol 19 unq 7 iso 0 dist 4.51865 6.41423 4.64838 5.80928 8.4674 6.41575 numMergedOcc 0
26 mol 19 unq 8 iso 0 dist 6.864 7.75618 7.08342 7.67038 4.51865 8.40416 numMergedOcc 0
27 mol 19 unq 9 iso 0 dist 6.864 6.41423 4.97119 5.80928 4.54938 6.41575 numMergedOcc 0
28 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 numMergedOcc 0
29 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 numMergedOcc 0
30 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 numMergedOcc 0
31 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 numMergedOcc 0
32 mol 24 unq 4 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 numMergedOcc 0
33 mol 24 unq 5 iso 0 dist 8.86116 9.44691 13.4893 14.6259 15.5324 8.75662 numMergedOcc 0
34 mol 24 unq 6 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 numMergedOcc 0
35 mol 24 unq 7 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 numMergedOcc 0
36 mol 24 unq 8 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 numMergedOcc 0
37 mol 24 unq 9 iso 0 dist 8.38394 9.44691 12.505 14.6259 17.8264 8.75662 numMergedOcc 0
38 mol 24 unq 10 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 numMergedOcc 0
39 mol 24 unq 11 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 numMergedOcc 0
40 mol 24 unq 12 iso 0 dist 5.54419 8.75662 10.8238 14.6259 13.2433 9.44691 numMergedOcc 0
41 mol 24 unq 13 iso 0 dist 5.54419 8.70827 5.59311 12.3067 7.36323 9.12854 numMergedOcc 0
42 mol 24 unq 14 iso 0 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 numMergedOcc 0
43 mol 24 unq 15 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 numMergedOcc 0
44 mol 24 unq 16 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 numMergedOcc 0
45 mol 24 unq 17 iso 0 dist 7.36323 8.75662 6.7828 14.6259 15.5296 9.44691 numMergedOcc 0
46 mol 24 unq 18 iso 0 dist 7.36323 9.12854 5.59311 12.3067 5.54419 8.70827 numMergedOcc 0
47 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 10.9391 11.9561 6.16347 numMergedOcc 0
48 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 numMergedOcc 0
49 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 numMergedOcc 0
50 mol 25 unq 3 iso 0 dist 7.57578 6.16347 9.34396 10.9391 12.7009 7.45383 numMergedOcc 0
51 mol 25 unq 4 iso 0 dist 7.57578 7.92503 6.11127 10.6808 13.7311 8.6653 numMergedOcc 0
52 mol 25 unq 5 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 numMergedOcc 0
53 mol 25 unq 6 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 numMergedOcc 0
54 mol 25 unq 7 iso 0 dist 7.17969 6.16347 10.8498 10.9391 12.8117 7.45383 numMergedOcc 0
55 mol 25 unq 8 iso 0 dist 7.17969 7.92503 5.30154 10.6808 12.9968 8.6653 numMergedOcc 0
56 mol 25 unq 9 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 numMergedOcc 0
57 mol 25 unq 10 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 numMergedOcc 0
58 mol 25 unq 11 iso 0 dist 7.31767 8.6653 5.64303 10.6808 12.4135 7.92503 numMergedOcc 0
59 mol 25 unq 12 iso 0 dist 6.03987 8.6653 5.82503 10.6808 11.6743 7.92503 numMergedOcc 0
60 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 5.30792 6.62496 5.93884 numMergedOcc 0
61 mol 58 unq 1 iso 0 dist 6.86465 9.92355 5.78774 5.35073 6.35756 7.68678 numMergedOcc 0
62 mol 58 unq 2 iso 0 dist 6.62496 5.93884 5.78774 5.30792 6.86465 9.92355 numMergedOcc 0
63 mol 58 unq 3 iso 0 dist 6.62496 5.93884 5.78774 4.81926 6.35756 7.68678 numMergedOcc 0
64 mol 58 unq 4 iso 0 dist 6.35756 7.68678 5.78774 5.35073 6.86465 9.92355 numMergedOcc 0
65 mol 58 unq 5 iso 0 dist 6.35756 7.68678 5.78774 4.81926 6.62496 5.93884 numMergedOcc 0
66 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 10.1164 15.309 9.39864 numMergedOcc 0
67 mol 85 unq 1 iso 0 dist 6.19965 7.54568 8.09967 10.1164 11.2656 9.39864 numMergedOcc 0
68 mol 85 unq 2 iso 0 dist 7.66905 7.54568 4.65335 10.1164 5.73196 9.39864 numMergedOcc 0
69 mol 85 unq 3 iso 0 dist 5.73196 9.39864 4.65335 10.1164 7.66905 7.54568 numMergedOcc 0
70 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 8.40073 6.10456 4.47349 numMergedOcc 0
71 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 10.2427 10.1136 5.65185 numMergedOcc 0
72 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 8.40073 5.08437 6.7117 numMergedOcc 0
73 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 5.02887 10.1136 5.65185 numMergedOcc 0
74 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 10.8586 10.9461 7.10378 numMergedOcc 0
75 mol 100 unq 1 iso 0 dist 9.60661 7.01812 5.80144 5.88134 6.65086 8.30845 numMergedOcc 0
76 mol 100 unq 2 iso 0 dist 7.17106 7.10378 10.6848 10.8586 10.1489 7.80975 numMergedOcc 0
77 mol 100 unq 3 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 numMergedOcc 0
78 mol 100 unq 4 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 numMergedOcc 0
79 mol 100 unq 5 iso 0 dist 7.47343 8.30845 12.2861 5.88134 12.0662 7.01812 numMergedOcc 0
80 mol 100 unq 6 iso 0 dist 6.65086 8.30845 5.80144 5.88134 9.60661 7.01812 numMergedOcc 0
81 mol 100 unq 7 iso 0 dist 6.56369 8.30845 10.0456 5.88134 9.35224 7.01812 numMergedOcc 0
82 mol 100 unq 8 iso 0 dist 9.30209 8.30845 6.70236 5.88134 10.5853 7.01812 numMergedOcc 0
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85 mol 115 unq 1 iso 0 dist 5.11551 6.92026 6.77806 10.5564 11.8863 6.97707 numMergedOcc 0
86 mol 115 unq 2 iso 0 dist 7.11972 5.88249 6.77806 6.5838 5.11551 6.92026 numMergedOcc 0
87 mol 115 unq 3 iso 0 dist 7.11972 5.88249 6.77806 5.67807 11.8863 6.97707 numMergedOcc 0
88 mol 115 unq 4 iso 0 dist 6.90986 5.88249 5.31484 6.5838 11.4095 6.92026 numMergedOcc 0
89 mol 115 unq 5 iso 0 dist 6.90986 5.88249 5.31484 5.67807 5.39945 6.97707 numMergedOcc 0
90 mol 115 unq 6 iso 0 dist 5.39945 6.97707 5.31484 10.5564 11.4095 6.92026 numMergedOcc 0
91 mol 115 unq 7 iso 0 dist 5.39945 6.97707 5.31484 5.67807 6.90986 5.88249 numMergedOcc 0
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93 mol 119 unq 1 iso 0 dist 9.87172 9.11344 10.9441 4.85907 12.6489 6.52773 numMergedOcc 0
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95 mol 125 unq 1 iso 0 dist 8.62381 9.3778 11.0769 5.20403 12.7528 9.08382 numMergedOcc 0
96 mol 125 unq 2 iso 0 dist 8.62381 9.3778 11.0769 11.8325 17.1992 7.47069 numMergedOcc 0
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98 mol 130 unq 1 iso 0 dist 9.28393 7.96646 6.73735 10.0969 14.2551 7.88805 numMergedOcc 0
99 mol 130 unq 2 iso 0 dist 9.28393 7.96646 6.73735 10.7116 12.2375 7.90048 numMergedOcc 0
100 mol 133 unq 0 iso 0 dist 6.5107 6.66772 7.12976 6.69554 9.66421 9.97654 numMergedOcc 0
101 mol 133 unq 1 iso 0 dist 6.5107 6.66772 7.12976 7.6656 12.0352 7.71248 numMergedOcc 0
102 mol 133 unq 2 iso 0 dist 9.91388 9.97654 4.34568 6.69554 9.52634 6.66772 numMergedOcc 0
103 mol 133 unq 3 iso 0 dist 9.91388 9.97654 4.34568 6.761 7.24514 7.71248 numMergedOcc 0
104 mol 133 unq 4 iso 0 dist 9.52634 6.66772 4.34568 6.69554 9.91388 9.97654 numMergedOcc 0
105 mol 133 unq 5 iso 0 dist 9.52634 6.66772 4.34568 7.6656 7.24514 7.71248 numMergedOcc 0
106 mol 133 unq 6 iso 0 dist 7.24514 7.71248 4.34568 6.761 9.91388 9.97654 numMergedOcc 0
107 mol 133 unq 7 iso 0 dist 7.24514 7.71248 4.34568 7.6656 9.52634 6.66772 numMergedOcc 0
108 mol 133 unq 8 iso 0 dist 8.22656 7.71248 10.6025 6.761 10.0372 9.97654 numMergedOcc 0
109 mol 133 unq 9 iso 0 dist 8.22656 7.71248 10.6025 7.6656 13.4163 6.66772 numMergedOcc 0
110 mol 133 unq 10 iso 0 dist 6.29155 6.16242 4.54648 7.81217 6.80239 5.87634 numMergedOcc 0
111 mol 133 unq 11 iso 0 dist 6.80239 5.87634 4.54648 7.81217 6.29155 6.16242 numMergedOcc 0
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114 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 numMergedOcc 0
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116 mol 134 unq 4 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 numMergedOcc 0
117 mol 134 unq 5 iso 0 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 numMergedOcc 0
118 mol 134 unq 6 iso 0 dist 8.94367 6.23142 4.57832 5.00526 11.9139 7.69991 numMergedOcc 0
119 mol 134 unq 7 iso 0 dist 8.94367 6.23142 4.57832 6.81259 9.86662 9.94764 numMergedOcc 0
120 mol 134 unq 8 iso 0 dist 6.37586 6.23142 5.29786 5.00526 9.5126 7.69991 numMergedOcc 0
121 mol 134 unq 9 iso 0 dist 6.37586 6.23142 5.29786 6.81259 9.71307 9.94764 numMergedOcc 0
122 mol 134 unq 10 iso 0 dist 6.49416 7.80532 9.87376 5.79898 9.93925 5.83771 numMergedOcc 0
123 mol 134 unq 11 iso 0 dist 6.49416 6.23142 5.71679 5.00526 6.54501 7.69991 numMergedOcc 0
124 mol 134 unq 12 iso 0 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 numMergedOcc 0
125 mol 134 unq 13 iso 0 dist 9.86662 9.94764 4.57832 11.3271 11.9139 7.69991 numMergedOcc 0
126 mol 134 unq 14 iso 0 dist 9.86662 9.94764 4.57832 6.81259 8.94367 6.23142 numMergedOcc 0
127 mol 134 unq 15 iso 0 dist 9.71307 9.94764 5.29786 11.3271 9.5126 7.69991 numMergedOcc 0
128 mol 134 unq 16 iso 0 dist 9.71307 9.94764 5.29786 6.81259 6.37586 6.23142 numMergedOcc 0
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131 mol 156 unq 2 iso 0 dist 7.66148 7.90267 6.03934 5.56175 12.0598 9.44367 numMergedOcc 0
132 mol 156 unq 3 iso 0 dist 8.94056 7.90267 5.4555 5.56175 7.44554 9.44367 numMergedOcc 0
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137 mol 181 unq 3 iso 0 dist 8.03334 6.2479 7.81713 8.88798 10.7062 7.99195 numMergedOcc 0
138 mol 181 unq 4 iso 0 dist 5.98885 7.99195 6.6251 8.88798 9.1374 6.2479 numMergedOcc 0
139 mol 181 unq 5 iso 0 dist 5.98885 7.99195 6.6251 12.6324 9.94371 6.22122 numMergedOcc 0
140 mol 181 unq 6 iso 0 dist 9.09537 7.99195 10.09 8.88798 15.0228 6.2479 numMergedOcc 0
141 mol 181 unq 7 iso 0 dist 9.09537 7.99195 10.09 12.6324 16.2058 6.22122 numMergedOcc 0
142 mol 181 unq 8 iso 0 dist 7.81386 9.39829 7.20191 8.85576 7.63312 6.41453 numMergedOcc 0
143 mol 181 unq 9 iso 0 dist 7.63312 6.41453 7.20191 8.85576 7.81386 9.39829 numMergedOcc 0
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153 mol 227 unq 5 iso 0 dist 7.09863 6.02296 6.35849 4.39704 7.22101 7.43071 numMergedOcc 0
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160 mol 249 unq 1 iso 0 dist 6.18582 5.48118 7.04666 5.3927 11.2388 7.25858 numMergedOcc 0
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165 mol 259 unq 2 iso 0 dist 7.46176 7.08526 8.81835 6.96053 7.88519 7.98231 numMergedOcc 0
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167 mol 278 unq 0 iso 0 dist 8.44326 8.00673 4.97614 8.29447 10.6095 6.62841 numMergedOcc 0
