0 mol 69 unq 0 iso 0 dist 7.00234 9.56859 10.4187 14.8167 15.7168 7.17133 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 7.30652 5.75135 10.4187 12.8471 15.7168 7.17133 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 4.00834 7.48127 5.91098 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.41861 6.46582 8.58474 9.6911 11.1162 4.86523 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 5.55798 7.06029 4.13187 6.05149 8.64686 6.65972 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 6.77845 9.94528 4.48523 9.39588 7.2118 7.69755 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 6.77845 9.94528 4.48523 14.6472 11.3405 9.64197 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 5.48555 8.94777 4.48523 12.0034 7.2118 7.69755 numMergedOcc 0
8 mol 83 unq 3 iso 0 dist 5.48555 8.94777 4.48523 16.6651 11.3405 9.64197 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.29249 7.33353 4.51052 9.44377 7.70612 8.01266 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 9.62551 6.80798 10.4526 6.25432 10.6398 4.821 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 6.65878 7.84813 6.61102 5.0466 7.6453 4.4077 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 8.75242 5.79195 9.35049 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.56319 8.22722 6.208 13.3296 9.38308 6.67937 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 6.65267 8.22722 3.60683 13.3296 9.63582 6.67937 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 9.73038 8.52036 6.208 6.49614 9.38308 6.67937 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 8.19166 8.83476 4.63862 6.45333 5.79195 9.35049 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 8.39087 8.95296 11.1876 5.4173 11.2333 8.06817 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 5.21088 5.05414 3.9335 8.19854 9.3964 5.5223 numMergedOcc 0
19 mol 192 unq 1 iso 0 dist 5.21088 5.05414 3.9335 4.65303 7.36571 5.03588 numMergedOcc 0
20 mol 192 unq 2 iso 0 dist 5.21088 7.16964 5.31881 8.19854 9.3964 8.00501 numMergedOcc 0
21 mol 192 unq 3 iso 0 dist 9.78743 5.05414 10.6325 8.19854 10.4355 5.5223 numMergedOcc 0
22 mol 192 unq 4 iso 0 dist 9.78743 5.05414 10.6325 4.65303 12.4457 5.03588 numMergedOcc 0
23 mol 192 unq 5 iso 0 dist 9.78743 7.16964 7.64178 8.19854 10.4355 8.00501 numMergedOcc 0
24 mol 192 unq 6 iso 0 dist 8.25609 5.05414 10.6087 8.19854 14.7669 5.5223 numMergedOcc 0
25 mol 192 unq 7 iso 0 dist 8.25609 5.05414 10.6087 4.65303 9.17137 5.03588 numMergedOcc 0
26 mol 192 unq 8 iso 0 dist 8.25609 7.16964 13.6786 8.19854 14.7669 8.00501 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 9.85777 8.93485 10.5366 11.2438 16.3219 8.83628 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 8.47833 8.93485 6.82382 11.2438 6.43519 8.83628 numMergedOcc 0
29 mol 205 unq 2 iso 0 dist 5.05912 8.93485 9.27501 11.2438 12.9615 8.83628 numMergedOcc 0
30 mol 205 unq 3 iso 0 dist 5.47586 5.66636 6.82382 7.47443 6.43519 8.83628 numMergedOcc 0
31 mol 205 unq 4 iso 0 dist 6.60429 5.66636 9.27501 7.47443 12.9615 8.83628 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 5.70065 9.49242 5.81094 13.3519 10.3236 7.95917 numMergedOcc 0
33 mol 230 unq 0 iso 0 dist 5.19913 6.99256 3.86973 6.28086 9.24729 8.01593 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 5.9223 6.61322 5.05766 9.26732 8.58092 5.94328 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 5.9223 6.61322 5.05766 6.72414 7.40014 7.91978 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 9.80006 7.93375 3.94797 5.54798 10.0796 6.48382 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 6.16854 9.22665 6.10543 9.13465 10.6331 7.00616 numMergedOcc 0
38 mol 280 unq 1 iso 0 dist 6.16854 9.22665 6.10543 14.2183 14.3004 9.19653 numMergedOcc 0
39 mol 283 unq 0 iso 0 dist 5.90728 9.35302 12.6455 7.83784 12.7559 5.38739 numMergedOcc 0
40 mol 285 unq 0 iso 0 dist 7.38536 5.28731 3.57803 6.37482 6.32984 7.08681 numMergedOcc 0
41 mol 285 unq 1 iso 0 dist 7.38536 5.28731 3.57803 9.97666 13.2077 9.66678 numMergedOcc 0
42 mol 287 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.66584 10.9141 9.31611 numMergedOcc 0
43 mol 287 unq 1 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 numMergedOcc 0
44 mol 287 unq 2 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 numMergedOcc 0
45 mol 287 unq 3 iso 0 dist 7.3388 6.16127 5.03775 5.27724 10.2812 6.25845 numMergedOcc 0
46 mol 287 unq 4 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 numMergedOcc 0
47 mol 287 unq 5 iso 0 dist 6.96248 6.16127 8.95194 5.27724 11.2356 6.25845 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.66584 10.9141 9.31611 numMergedOcc 0
49 mol 288 unq 1 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 numMergedOcc 0
50 mol 288 unq 2 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 numMergedOcc 0
51 mol 288 unq 3 iso 0 dist 7.3388 6.16127 5.03775 5.27724 10.2812 6.25845 numMergedOcc 0
52 mol 288 unq 4 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 numMergedOcc 0
53 mol 288 unq 5 iso 0 dist 6.96248 6.16127 8.95194 5.27724 11.2356 6.25845 numMergedOcc 0
54 mol 289 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.66584 10.9141 9.31611 numMergedOcc 0
55 mol 289 unq 1 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 numMergedOcc 0
56 mol 289 unq 2 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 numMergedOcc 0
57 mol 289 unq 3 iso 0 dist 7.3388 6.16127 5.03775 5.27724 10.2812 6.25845 numMergedOcc 0
58 mol 289 unq 4 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 numMergedOcc 0
59 mol 289 unq 5 iso 0 dist 6.96248 6.16127 8.95194 5.27724 11.2356 6.25845 numMergedOcc 0
