0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.876 5.88545 8.20465 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.97507 8.38064 9.03536 7.876 8.20465 5.88545 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 7.97324 6.63929 8.33878 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 7.97324 8.33878 6.63929 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 7.97324 6.63929 11.8689 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 7.97324 11.8689 6.63929 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.97324 8.33878 11.8689 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.97324 11.8689 8.33878 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 6.79185 11.1338 5.54797 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 6.20293 8.80331 8.13395 6.79185 5.54797 11.1338 numMergedOcc 0
10 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 5.75761 6.55615 9.64358 numMergedOcc 0
11 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 5.75761 9.64358 6.55615 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 8.96978 8.39969 4.45372 numMergedOcc 0
13 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 8.96978 4.45372 8.39969 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 9.33919 15.9091 7.9151 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 9.33919 7.9151 15.9091 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 9.33919 15.9091 5.44172 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 9.33919 5.44172 15.9091 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 9.33919 7.9151 5.44172 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 9.33919 5.44172 7.9151 numMergedOcc 0
20 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 7.16975 7.09323 7.92499 numMergedOcc 0
21 mol 75 unq 0 iso 1 dist 8.56639 7.79912 5.64643 7.16975 7.92499 7.09323 numMergedOcc 0
22 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 7.16975 7.09323 6.68962 numMergedOcc 0
23 mol 75 unq 1 iso 1 dist 8.59017 7.79912 10.4899 7.16975 6.68962 7.09323 numMergedOcc 0
24 mol 75 unq 1 iso 0 dist 8.56639 8.59017 7.00674 7.16975 7.92499 6.68962 numMergedOcc 0
25 mol 75 unq 1 iso 1 dist 8.59017 8.56639 7.00674 7.16975 6.68962 7.92499 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.30021 10.4545 12.3178 numMergedOcc 0
27 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.30021 12.3178 10.4545 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 5.62635 10.4545 12.3178 numMergedOcc 0
29 mol 85 unq 1 iso 1 dist 7.66905 7.47541 5.42586 5.62635 12.3178 10.4545 numMergedOcc 0
30 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 7.07868 9.87083 11.3372 numMergedOcc 0
31 mol 85 unq 2 iso 1 dist 7.66905 7.47541 5.42586 7.07868 11.3372 9.87083 numMergedOcc 0
32 mol 85 unq 3 iso 0 dist 7.47541 5.73196 6.87425 5.62635 10.4545 7.43006 numMergedOcc 0
33 mol 85 unq 3 iso 1 dist 5.73196 7.47541 6.87425 5.62635 7.43006 10.4545 numMergedOcc 0
34 mol 85 unq 4 iso 0 dist 7.47541 5.73196 6.87425 7.07868 9.87083 4.60756 numMergedOcc 0
35 mol 85 unq 4 iso 1 dist 5.73196 7.47541 6.87425 7.07868 4.60756 9.87083 numMergedOcc 0
36 mol 85 unq 3 iso 0 dist 7.66905 5.73196 10.1164 5.62635 12.3178 7.43006 numMergedOcc 0
37 mol 85 unq 3 iso 1 dist 5.73196 7.66905 10.1164 5.62635 7.43006 12.3178 numMergedOcc 0
38 mol 85 unq 4 iso 0 dist 7.66905 5.73196 10.1164 7.07868 11.3372 4.60756 numMergedOcc 0
39 mol 85 unq 4 iso 1 dist 5.73196 7.66905 10.1164 7.07868 4.60756 11.3372 numMergedOcc 0
40 mol 100 unq 0 iso 0 dist 9.35224 6.56369 5.88134 7.5951 6.35939 4.46114 numMergedOcc 0
41 mol 100 unq 0 iso 1 dist 6.56369 9.35224 5.88134 7.5951 4.46114 6.35939 numMergedOcc 0
42 mol 117 unq 0 iso 0 dist 9.84395 7.90328 13.1058 8.2236 10.0324 11.1062 numMergedOcc 0
43 mol 117 unq 0 iso 1 dist 7.90328 9.84395 13.1058 8.2236 11.1062 10.0324 numMergedOcc 0
44 mol 127 unq 0 iso 0 dist 8.14887 9.30299 7.30196 5.72373 10.2773 10.7123 numMergedOcc 0
45 mol 127 unq 0 iso 1 dist 9.30299 8.14887 7.30196 5.72373 10.7123 10.2773 numMergedOcc 0
46 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 4.51266 5.47259 4.70102 numMergedOcc 0
47 mol 133 unq 0 iso 1 dist 6.80239 6.29155 7.81217 4.51266 4.70102 5.47259 numMergedOcc 0
48 mol 133 unq 1 iso 0 dist 6.29155 8.00618 11.965 4.51266 5.47259 6.56917 numMergedOcc 0
49 mol 133 unq 1 iso 1 dist 8.00618 6.29155 11.965 4.51266 6.56917 5.47259 numMergedOcc 0
50 mol 133 unq 1 iso 0 dist 6.80239 8.00618 7.79672 4.51266 4.70102 6.56917 numMergedOcc 0
51 mol 133 unq 1 iso 1 dist 8.00618 6.80239 7.79672 4.51266 6.56917 4.70102 numMergedOcc 0
52 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 5.08591 8.19969 5.33769 numMergedOcc 0
53 mol 175 unq 0 iso 1 dist 7.652 9.0018 7.42466 5.08591 5.33769 8.19969 numMergedOcc 0
54 mol 175 unq 1 iso 0 dist 5.6234 9.92231 7.42466 8.03727 8.19969 5.33769 numMergedOcc 0
55 mol 175 unq 1 iso 1 dist 9.92231 5.6234 7.42466 8.03727 5.33769 8.19969 numMergedOcc 0
56 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 8.47008 7.45927 5.83639 numMergedOcc 0
57 mol 181 unq 0 iso 1 dist 7.63312 7.81386 8.85576 8.47008 5.83639 7.45927 numMergedOcc 0
58 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 6.52987 4.92241 7.36565 numMergedOcc 0
59 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 6.52987 7.36565 4.92241 numMergedOcc 0
60 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 6.52987 4.92241 10.9417 numMergedOcc 0
61 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 6.52987 10.9417 4.92241 numMergedOcc 0
62 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 6.52987 7.36565 10.9417 numMergedOcc 0
63 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 6.52987 10.9417 7.36565 numMergedOcc 0
64 mol 229 unq 0 iso 0 dist 7.03423 9.06952 6.84129 7.38552 5.31837 4.74734 numMergedOcc 0
65 mol 229 unq 0 iso 1 dist 9.06952 7.03423 6.84129 7.38552 4.74734 5.31837 numMergedOcc 0
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67 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 7.72403 8.83842 10.3378 numMergedOcc 0
68 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 7.72403 10.3378 5.43327 numMergedOcc 0
69 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 7.72403 5.43327 10.3378 numMergedOcc 0
70 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 7.72403 8.83842 5.43327 numMergedOcc 0
71 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 7.72403 5.43327 8.83842 numMergedOcc 0
72 mol 234 unq 2 iso 0 dist 9.45496 6.7625 7.82322 6.35438 8.83842 5.43327 numMergedOcc 0
73 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 6.35438 5.43327 8.83842 numMergedOcc 0
74 mol 234 unq 3 iso 0 dist 8.41436 8.92474 8.62358 7.27632 10.6728 5.3919 numMergedOcc 0
75 mol 234 unq 3 iso 1 dist 8.92474 8.41436 8.62358 7.27632 5.3919 10.6728 numMergedOcc 0
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80 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.64122 10.1317 4.63899 numMergedOcc 0
81 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 7.64122 4.63899 10.1317 numMergedOcc 0
82 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.64122 10.1317 8.41812 numMergedOcc 0
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84 mol 259 unq 1 iso 0 dist 7.84554 7.46176 7.64658 7.64122 8.53114 4.63899 numMergedOcc 0
85 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 7.64122 4.63899 8.53114 numMergedOcc 0
86 mol 259 unq 2 iso 0 dist 7.84554 9.18903 5.87173 7.64122 8.53114 8.41812 numMergedOcc 0
87 mol 259 unq 2 iso 1 dist 9.18903 7.84554 5.87173 7.64122 8.41812 8.53114 numMergedOcc 0
88 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 7.64122 4.63899 8.41812 numMergedOcc 0
89 mol 259 unq 2 iso 1 dist 9.18903 7.46176 10.5239 7.64122 8.41812 4.63899 numMergedOcc 0
90 mol 273 unq 0 iso 0 dist 6.92774 9.01049 7.03728 6.70271 5.93427 5.29565 numMergedOcc 0
91 mol 273 unq 0 iso 1 dist 9.01049 6.92774 7.03728 6.70271 5.29565 5.93427 numMergedOcc 0
92 mol 273 unq 1 iso 0 dist 6.92774 9.2983 8.55278 6.70271 5.93427 11.0848 numMergedOcc 0
93 mol 273 unq 1 iso 1 dist 9.2983 6.92774 8.55278 6.70271 11.0848 5.93427 numMergedOcc 0
94 mol 273 unq 1 iso 0 dist 9.01049 9.2983 8.05475 6.70271 5.29565 11.0848 numMergedOcc 0
95 mol 273 unq 1 iso 1 dist 9.2983 9.01049 8.05475 6.70271 11.0848 5.29565 numMergedOcc 0
96 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 6.92434 5.87456 8.58007 numMergedOcc 0
97 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 6.92434 8.58007 5.87456 numMergedOcc 0
98 mol 274 unq 1 iso 0 dist 7.56915 8.49997 6.33073 6.93875 8.83823 5.66046 numMergedOcc 0
99 mol 274 unq 1 iso 1 dist 8.49997 7.56915 6.33073 6.93875 5.66046 8.83823 numMergedOcc 0
100 mol 274 unq 2 iso 0 dist 7.56915 8.49997 6.33073 6.0868 9.51441 10.1323 numMergedOcc 0
101 mol 274 unq 2 iso 1 dist 8.49997 7.56915 6.33073 6.0868 10.1323 9.51441 numMergedOcc 0
102 mol 274 unq 3 iso 0 dist 7.56915 8.49997 6.33073 6.32856 11.5556 13.5073 numMergedOcc 0
103 mol 274 unq 3 iso 1 dist 8.49997 7.56915 6.33073 6.32856 13.5073 11.5556 numMergedOcc 0
