0 mol 8 unq 0 iso 0 dist 6.82379 13.7792 8.94096 5.7531 7.12263 14.5611 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 13.7792 8.94096 11.0223 5.00267 6.69972 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.82379 15.4959 9.07858 5.7531 7.12263 12.9762 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.82379 15.4959 9.07858 11.0223 5.00267 6.3125 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 6.24978 10.6893 8.94096 4.88215 7.12263 14.5611 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 6.24978 10.6893 8.94096 6.80407 5.00267 6.69972 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 6.24978 12.0818 9.07858 4.88215 7.12263 12.9762 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 6.24978 12.0818 9.07858 6.80407 5.00267 6.3125 numMergedOcc 0
8 mol 8 unq 8 iso 0 dist 9.66439 13.8882 8.94096 6.36434 7.12263 14.5611 numMergedOcc 0
9 mol 8 unq 9 iso 0 dist 9.66439 13.8882 8.94096 8.44094 5.00267 6.69972 numMergedOcc 0
10 mol 8 unq 10 iso 0 dist 9.66439 11.4738 9.07858 6.36434 7.12263 12.9762 numMergedOcc 0
11 mol 8 unq 11 iso 0 dist 9.66439 11.4738 9.07858 8.44094 5.00267 6.3125 numMergedOcc 0
12 mol 8 unq 12 iso 0 dist 7.3915 12.8924 8.94096 8.79272 7.12263 14.5611 numMergedOcc 0
13 mol 8 unq 13 iso 0 dist 7.3915 12.8924 8.94096 6.32152 5.00267 6.69972 numMergedOcc 0
14 mol 8 unq 14 iso 0 dist 7.3915 4.85329 9.07858 8.79272 7.12263 12.9762 numMergedOcc 0
15 mol 8 unq 15 iso 0 dist 7.3915 4.85329 9.07858 6.32152 5.00267 6.3125 numMergedOcc 0
16 mol 9 unq 0 iso 0 dist 7.05346 13.5628 9.82483 6.119 5.55437 10.4204 numMergedOcc 0
17 mol 9 unq 1 iso 0 dist 9.78006 5.60154 8.04924 11.0722 5.55437 6.81435 numMergedOcc 0
18 mol 13 unq 0 iso 0 dist 5.78148 13.1699 8.00865 10.9884 9.10587 7.65383 numMergedOcc 0
19 mol 13 unq 1 iso 0 dist 5.78148 11.1987 9.11447 10.9884 9.10587 8.58799 numMergedOcc 0
20 mol 13 unq 2 iso 0 dist 6.26071 10.5634 8.00865 7.39275 9.10587 7.65383 numMergedOcc 0
21 mol 13 unq 3 iso 0 dist 6.26071 12.0488 9.11447 7.39275 9.10587 8.58799 numMergedOcc 0
22 mol 13 unq 4 iso 0 dist 8.43325 8.66829 8.00865 7.82977 9.10587 7.65383 numMergedOcc 0
23 mol 13 unq 5 iso 0 dist 8.43325 14.2112 9.11447 7.82977 9.10587 8.58799 numMergedOcc 0
24 mol 24 unq 0 iso 0 dist 6.60423 5.39241 8.62284 6.58998 9.38831 11.3767 numMergedOcc 0
25 mol 24 unq 1 iso 0 dist 7.83786 4.51549 8.62284 11.0493 9.38831 11.3767 numMergedOcc 0
26 mol 56 unq 0 iso 0 dist 8.63486 11.2318 8.98797 12.8132 6.91393 5.73443 numMergedOcc 0
27 mol 56 unq 1 iso 0 dist 8.63486 11.2318 8.98797 16.7219 8.40038 11.075 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 8.65802 12.3813 9.20197 12.1157 8.03028 4.35316 numMergedOcc 0
29 mol 92 unq 1 iso 0 dist 8.65802 12.3813 9.20197 7.23437 7.39754 10.4552 numMergedOcc 0
30 mol 93 unq 0 iso 0 dist 9.81831 8.58164 7.85041 11.6865 5.51624 9.97157 numMergedOcc 0
31 mol 93 unq 1 iso 0 dist 9.81831 8.58164 7.85041 12.2598 7.8674 8.01991 numMergedOcc 0
32 mol 93 unq 2 iso 0 dist 9.12858 9.67788 7.85041 7.64463 5.51624 9.97157 numMergedOcc 0
33 mol 93 unq 3 iso 0 dist 9.12858 9.67788 7.85041 14.8533 7.8674 8.01991 numMergedOcc 0
34 mol 93 unq 4 iso 0 dist 9.4523 5.33106 7.85041 8.29171 5.51624 9.97157 numMergedOcc 0
35 mol 93 unq 5 iso 0 dist 9.4523 5.33106 7.85041 12.7936 7.8674 8.01991 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 5.72642 11.7126 9.9928 7.21418 8.71286 6.03931 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 7.99857 6.35763 9.87025 4.99056 8.03035 11.1324 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 7.99857 7.36192 5.85818 4.99056 8.03035 8.96522 numMergedOcc 0
39 mol 119 unq 2 iso 0 dist 8.56342 10.0197 9.87025 3.78311 8.03035 11.1324 numMergedOcc 0
40 mol 119 unq 3 iso 0 dist 8.56342 10.6679 5.85818 3.78311 8.03035 8.96522 numMergedOcc 0
41 mol 131 unq 0 iso 0 dist 9.15431 7.71288 9.39683 7.21005 7.76594 12.4067 numMergedOcc 0
42 mol 131 unq 1 iso 0 dist 6.92648 4.89973 9.39683 11.5688 7.76594 12.4067 numMergedOcc 0
43 mol 131 unq 2 iso 0 dist 9.29384 7.00551 9.39683 15.7796 7.76594 12.4067 numMergedOcc 0
44 mol 143 unq 0 iso 0 dist 8.41611 5.44503 6.40901 10.8441 5.73236 7.12863 numMergedOcc 0
45 mol 147 unq 0 iso 0 dist 5.49226 5.08802 5.1101 9.02993 9.23528 6.29593 numMergedOcc 0
46 mol 147 unq 1 iso 0 dist 5.49226 10.1972 7.01133 9.02993 9.23528 11.2831 numMergedOcc 0
47 mol 147 unq 2 iso 0 dist 6.28351 8.59354 5.1101 14.4247 9.23528 6.29593 numMergedOcc 0
48 mol 147 unq 3 iso 0 dist 6.28351 8.54341 7.01133 14.4247 9.23528 11.2831 numMergedOcc 0
49 mol 154 unq 0 iso 0 dist 7.72144 13.9336 9.47362 11.0347 9.71408 5.63464 numMergedOcc 0
50 mol 154 unq 1 iso 0 dist 7.72144 6.53652 6.28417 11.0347 9.71408 13.5582 numMergedOcc 0
51 mol 156 unq 0 iso 0 dist 9.31851 10.5873 9.54367 10.7975 4.9941 14.2138 numMergedOcc 0
52 mol 156 unq 1 iso 0 dist 9.31851 10.5873 9.54367 13.6634 8.06913 10.5496 numMergedOcc 0
53 mol 156 unq 2 iso 0 dist 9.31851 4.73711 7.26859 10.7975 4.9941 10.1294 numMergedOcc 0
54 mol 156 unq 3 iso 0 dist 9.31851 4.73711 7.26859 13.6634 8.06913 9.19336 numMergedOcc 0
55 mol 156 unq 4 iso 0 dist 9.43259 13.2847 6.87906 10.7023 5.90883 10.5496 numMergedOcc 0
56 mol 156 unq 5 iso 0 dist 9.43259 5.97294 7.94975 10.7023 5.90883 9.19336 numMergedOcc 0
57 mol 156 unq 6 iso 0 dist 9.43259 16.5051 8.49473 10.7023 5.90883 13.3907 numMergedOcc 0
58 mol 156 unq 7 iso 0 dist 9.43259 13.6496 9.39865 10.7023 5.90883 4.24398 numMergedOcc 0
59 mol 156 unq 8 iso 0 dist 6.2319 13.2847 9.54367 5.71107 4.9941 14.2138 numMergedOcc 0
60 mol 156 unq 9 iso 0 dist 6.2319 13.2847 9.54367 10.7023 8.06913 10.5496 numMergedOcc 0
61 mol 156 unq 10 iso 0 dist 6.2319 5.97294 7.26859 5.71107 4.9941 10.1294 numMergedOcc 0
62 mol 156 unq 11 iso 0 dist 6.2319 5.97294 7.26859 10.7023 8.06913 9.19336 numMergedOcc 0
63 mol 156 unq 12 iso 0 dist 7.73169 5.07967 7.04913 5.82636 4.9941 6.6213 numMergedOcc 0
64 mol 156 unq 13 iso 0 dist 9.97732 14.42 9.54367 11.2067 4.9941 14.2138 numMergedOcc 0
65 mol 156 unq 14 iso 0 dist 9.97732 14.42 9.54367 9.00862 8.06913 10.5496 numMergedOcc 0
66 mol 156 unq 15 iso 0 dist 9.97732 6.53729 7.26859 11.2067 4.9941 10.1294 numMergedOcc 0
67 mol 156 unq 16 iso 0 dist 9.97732 6.53729 7.26859 9.00862 8.06913 9.19336 numMergedOcc 0
68 mol 171 unq 0 iso 0 dist 7.71426 8.08908 5.73148 4.44751 7.82546 7.48646 numMergedOcc 0
69 mol 171 unq 1 iso 0 dist 5.10618 6.05805 5.73148 9.61561 7.82546 7.48646 numMergedOcc 0
70 mol 171 unq 2 iso 0 dist 9.86681 8.83561 5.73148 10.2067 7.82546 7.48646 numMergedOcc 0
71 mol 184 unq 0 iso 0 dist 8.77887 6.47974 6.21206 5.16512 9.05835 4.05428 numMergedOcc 0
72 mol 186 unq 0 iso 0 dist 6.72641 10.5203 9.59034 8.12143 7.23293 8.37278 numMergedOcc 0
73 mol 186 unq 1 iso 0 dist 9.83476 13.1933 7.94153 6.87725 8.12349 7.0016 numMergedOcc 0
74 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 6.66155 5.52678 12.0339 numMergedOcc 0
75 mol 194 unq 1 iso 0 dist 6.26839 15.9311 9.77862 5.4499 9.81666 18.7006 numMergedOcc 0
76 mol 194 unq 2 iso 0 dist 8.12346 13.7758 9.77862 6.12973 5.52678 12.0339 numMergedOcc 0
77 mol 194 unq 3 iso 0 dist 8.12346 13.7758 9.77862 11.0239 9.81666 18.7006 numMergedOcc 0
78 mol 194 unq 4 iso 0 dist 8.83356 5.38925 9.77862 13.0333 5.52678 12.0339 numMergedOcc 0
79 mol 194 unq 5 iso 0 dist 8.83356 5.38925 9.77862 18.6469 9.81666 18.7006 numMergedOcc 0
80 mol 194 unq 6 iso 0 dist 8.2654 14.2415 9.77862 10.1796 5.52678 12.0339 numMergedOcc 0
81 mol 194 unq 7 iso 0 dist 8.2654 14.2415 9.77862 13.5457 9.81666 18.7006 numMergedOcc 0
82 mol 218 unq 0 iso 0 dist 8.0751 7.35842 6.23898 7.85475 8.22792 6.08698 numMergedOcc 0
83 mol 218 unq 1 iso 0 dist 6.29367 6.05563 6.86795 6.90702 8.93185 6.08698 numMergedOcc 0
84 mol 218 unq 2 iso 0 dist 6.29367 8.36122 6.61099 6.90702 8.93185 13.6339 numMergedOcc 0
85 mol 218 unq 3 iso 0 dist 5.76954 9.68444 6.86795 10.4526 8.93185 6.08698 numMergedOcc 0
86 mol 218 unq 4 iso 0 dist 5.76954 7.47048 6.61099 10.4526 8.93185 13.6339 numMergedOcc 0
87 mol 218 unq 5 iso 0 dist 9.20961 11.4148 6.86795 8.94041 8.93185 6.08698 numMergedOcc 0
88 mol 218 unq 6 iso 0 dist 9.20961 12.7963 6.61099 8.94041 8.93185 13.6339 numMergedOcc 0
89 mol 225 unq 0 iso 0 dist 6.6561 8.69249 5.13453 4.76151 6.53728 8.99405 numMergedOcc 0
90 mol 225 unq 1 iso 0 dist 8.87609 5.06326 7.29542 11.5135 6.53728 7.13893 numMergedOcc 0
91 mol 227 unq 0 iso 0 dist 8.38865 9.60993 9.20589 10.5813 9.56257 8.84427 numMergedOcc 0
92 mol 227 unq 1 iso 0 dist 8.38865 13.3557 7.89801 10.5813 9.56257 5.95112 numMergedOcc 0
93 mol 227 unq 2 iso 0 dist 5.4694 5.34702 9.20589 7.22396 9.56257 8.84427 numMergedOcc 0
94 mol 227 unq 3 iso 0 dist 5.4694 8.8709 7.89801 7.22396 9.56257 5.95112 numMergedOcc 0
95 mol 227 unq 4 iso 0 dist 8.03442 6.43754 7.1372 11.0628 9.56257 5.92529 numMergedOcc 0
96 mol 237 unq 0 iso 0 dist 7.42587 5.54394 7.35569 13.1083 9.84466 16.0031 numMergedOcc 0
97 mol 237 unq 1 iso 0 dist 7.42587 5.54394 7.35569 6.23145 6.16557 10.1969 numMergedOcc 0
98 mol 237 unq 2 iso 0 dist 7.42587 5.54394 7.35569 7.11441 5.4813 7.50329 numMergedOcc 0
99 mol 238 unq 0 iso 0 dist 6.66971 13.0842 9.42618 10.7508 9.89583 18.0054 numMergedOcc 0
100 mol 238 unq 1 iso 0 dist 6.4398 15.3074 9.42618 5.87253 9.89583 18.0054 numMergedOcc 0
101 mol 238 unq 2 iso 0 dist 7.32982 8.85181 9.42618 10.7551 9.89583 18.0054 numMergedOcc 0
102 mol 238 unq 3 iso 0 dist 5.52379 11.6239 7.61203 14.1055 9.89583 10.6355 numMergedOcc 0
103 mol 238 unq 4 iso 0 dist 5.52379 13.9614 9.47845 14.1055 9.89583 6.48619 numMergedOcc 0
104 mol 238 unq 5 iso 0 dist 5.52379 12.3042 6.92409 14.1055 9.89583 5.8333 numMergedOcc 0
105 mol 238 unq 6 iso 0 dist 5.52379 5.54325 6.89694 14.1055 9.89583 16.1577 numMergedOcc 0
106 mol 240 unq 0 iso 0 dist 9.47583 10.7371 8.33853 10.6074 9.53915 4.4268 numMergedOcc 0
107 mol 240 unq 1 iso 0 dist 9.47583 13.9225 5.66537 10.6074 9.53915 8.76585 numMergedOcc 0
108 mol 240 unq 2 iso 0 dist 8.44909 7.75407 8.33853 9.23135 9.53915 4.4268 numMergedOcc 0
109 mol 240 unq 3 iso 0 dist 8.44909 12.076 5.66537 9.23135 9.53915 8.76585 numMergedOcc 0
110 mol 264 unq 0 iso 0 dist 6.04162 8.16326 9.42738 6.84156 5.74568 8.79843 numMergedOcc 0
111 mol 264 unq 1 iso 0 dist 6.14323 12.3807 9.42738 9.37297 5.74568 8.79843 numMergedOcc 0
112 mol 294 unq 0 iso 0 dist 9.13907 6.17102 8.32473 12.0308 7.41079 8.73481 numMergedOcc 0
