0 mol 8 unq 0 iso 0 dist 7.8922 5.02333 5.00267 8.99126 6.69972 8.94096 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.8922 5.02333 5.00267 10.3197 6.3125 9.07858 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.05346 6.119 5.55437 12.7944 6.81435 8.04924 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 9.78006 11.0722 5.55437 6.33889 10.4204 9.82483 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 7.9944 10.4817 5.38458 14.2527 7.77807 7.25684 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 7.9944 10.4817 5.38458 12.9221 6.93413 8.22285 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 7.032 7.51034 5.38458 13.4619 7.77807 7.25684 numMergedOcc 0
7 mol 9 unq 5 iso 0 dist 7.032 7.51034 5.38458 9.87449 6.93413 8.22285 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.72502 5.97304 9.38831 12.4274 11.3767 8.62284 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.86674 6.09514 9.01011 11.0637 4.76302 8.30176 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 8.65802 7.23437 7.39754 11.3654 4.94804 8.30176 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.74857 7.3094 8.71286 6.99777 6.03931 9.9928 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 14.0269 11.1324 9.87025 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.77116 4.91132 8.03035 9.63176 8.96522 5.85818 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 5.39064 8.83949 6.98813 8.19104 5.39245 8.01587 numMergedOcc 0
15 mol 140 unq 1 iso 0 dist 8.64368 5.11372 5.39314 10.2871 9.56001 8.01587 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 9.31851 10.7975 4.9941 15.781 6.6213 7.04913 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 6.2319 5.71107 4.9941 10.7757 6.6213 7.04913 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 7.73169 5.82636 4.9941 13.0488 14.2138 9.54367 numMergedOcc 0
19 mol 156 unq 3 iso 0 dist 7.73169 5.82636 4.9941 10.0526 10.1294 7.26859 numMergedOcc 0
20 mol 156 unq 4 iso 0 dist 5.38091 6.44255 5.90883 13.0488 10.5496 6.87906 numMergedOcc 0
21 mol 156 unq 5 iso 0 dist 5.38091 6.44255 5.90883 10.0526 9.19336 7.94975 numMergedOcc 0
22 mol 156 unq 6 iso 0 dist 5.38091 6.44255 5.90883 9.38246 4.24398 9.39865 numMergedOcc 0
23 mol 156 unq 7 iso 0 dist 5.38091 6.44255 5.90883 14.6135 13.3907 8.49473 numMergedOcc 0
24 mol 156 unq 8 iso 0 dist 5.38091 5.82636 8.06913 13.0488 10.5496 9.54367 numMergedOcc 0
25 mol 156 unq 9 iso 0 dist 5.38091 5.82636 8.06913 10.0526 9.19336 7.26859 numMergedOcc 0
26 mol 156 unq 10 iso 0 dist 9.97732 11.2067 4.9941 13.5803 6.6213 7.04913 numMergedOcc 0
27 mol 163 unq 0 iso 0 dist 8.5043 3.89889 8.23605 9.19209 8.26893 5.92747 numMergedOcc 0
28 mol 163 unq 1 iso 0 dist 8.38738 6.94217 7.3546 12.4589 9.79955 8.21476 numMergedOcc 0
29 mol 163 unq 2 iso 0 dist 8.38738 6.94217 7.3546 14.3093 12.6283 7.66897 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 6.6561 4.76151 6.53728 10.7328 7.13893 7.29542 numMergedOcc 0
31 mol 225 unq 1 iso 0 dist 8.87609 11.5135 6.53728 12.2336 8.99405 5.13453 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 8.38865 10.5813 9.56257 8.17891 5.92529 7.1372 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 5.4694 7.22396 9.56257 6.95902 5.92529 7.1372 numMergedOcc 0
34 mol 227 unq 2 iso 0 dist 8.03442 11.0628 9.56257 12.9493 8.84427 9.20589 numMergedOcc 0
35 mol 227 unq 3 iso 0 dist 8.03442 11.0628 9.56257 12.3856 5.95112 7.89801 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 6.66971 10.7508 9.89583 15.1933 10.6355 7.61203 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 6.66971 10.7508 9.89583 12.5477 6.48619 9.47845 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 6.66971 10.7508 9.89583 9.90142 5.8333 6.92409 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 6.66971 10.7508 9.89583 17.4175 16.1577 6.89694 numMergedOcc 0
40 mol 238 unq 4 iso 0 dist 6.4398 5.87253 9.89583 10.7532 10.6355 7.61203 numMergedOcc 0
41 mol 238 unq 5 iso 0 dist 6.4398 5.87253 9.89583 9.68513 6.48619 9.47845 numMergedOcc 0
42 mol 238 unq 6 iso 0 dist 6.4398 5.87253 9.89583 5.9216 5.8333 6.92409 numMergedOcc 0
43 mol 238 unq 7 iso 0 dist 6.4398 5.87253 9.89583 12.746 16.1577 6.89694 numMergedOcc 0
44 mol 238 unq 8 iso 0 dist 7.32982 10.7551 9.89583 12.1104 10.6355 7.61203 numMergedOcc 0
45 mol 238 unq 9 iso 0 dist 7.32982 10.7551 9.89583 9.29858 6.48619 9.47845 numMergedOcc 0
46 mol 238 unq 10 iso 0 dist 7.32982 10.7551 9.89583 10.7386 5.8333 6.92409 numMergedOcc 0
47 mol 238 unq 11 iso 0 dist 7.32982 10.7551 9.89583 15.0465 16.1577 6.89694 numMergedOcc 0
48 mol 238 unq 12 iso 0 dist 5.52379 14.1055 9.89583 20.7505 18.0054 9.42618 numMergedOcc 0
49 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 12.3016 8.79843 9.42738 numMergedOcc 0
50 mol 264 unq 1 iso 0 dist 6.42588 10.1591 5.74568 14.5867 8.79843 9.42738 numMergedOcc 0
51 mol 294 unq 0 iso 0 dist 7.91611 6.21267 7.41079 13.4799 8.73481 8.32473 numMergedOcc 0
