0 mol 0 unq 0 iso 0 dist 7.37981 10.169 9.23213 6.63977 7.40865 9.30151 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.37981 11.9257 8.81979 6.63977 7.40865 6.11501 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19621 11.8799 9.23213 4.76647 7.40865 9.30151 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.19621 5.13546 8.81979 4.76647 7.40865 6.11501 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 6.79478 16.1353 9.53002 5.15125 4.30695 11.9464 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 6.79478 16.1353 9.53002 10.9655 6.35398 7.5901 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.74445 12.8035 9.83618 10.7304 8.95682 4.54282 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 6.59893 10.8658 5.02241 8.02105 7.21717 11.0681 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 5.59773 10.352 5.02241 7.93241 7.21717 11.0681 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 7.84983 11.5448 9.64665 6.64072 5.93884 5.27642 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 9.56737 17.0485 8.89374 6.64072 7.68678 12.0055 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.42445 10.453 8.71128 12.5697 6.84011 9.23527 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.97145 10.4276 6.91348 4.17212 8.70296 9.93183 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 8.97145 10.4276 6.91348 13.6005 9.25558 5.90177 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 8.97145 14.8011 9.51418 4.17212 8.70296 16.5048 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 8.97145 14.8011 9.51418 13.6005 9.25558 5.70899 numMergedOcc 0
16 mol 131 unq 4 iso 0 dist 6.5874 4.96935 6.91348 9.64263 8.70296 9.93183 numMergedOcc 0
17 mol 131 unq 5 iso 0 dist 6.5874 4.96935 6.91348 5.55307 9.25558 5.90177 numMergedOcc 0
18 mol 131 unq 6 iso 0 dist 6.5874 7.83921 9.51418 9.64263 8.70296 16.5048 numMergedOcc 0
19 mol 131 unq 7 iso 0 dist 6.5874 7.83921 9.51418 5.55307 9.25558 5.70899 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 8.81169 8.83831 8.47155 4.1075 6.30021 10.0003 numMergedOcc 0
21 mol 156 unq 1 iso 0 dist 7.30021 10.3893 6.27641 9.69888 9.4013 5.05683 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.00898 13.7622 9.52634 10.5222 9.39352 7.60254 numMergedOcc 0
23 mol 176 unq 0 iso 0 dist 9.03194 9.17004 8.61331 11.2154 7.33273 13.7844 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 7.32478 7.54928 5.48258 5.35575 8.29382 4.79043 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 7.32478 7.54928 5.48258 7.75447 6.72379 4.26755 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 7.32478 5.45144 6.15769 5.35575 8.29382 6.56076 numMergedOcc 0
27 mol 194 unq 3 iso 0 dist 7.32478 5.45144 6.15769 7.75447 6.72379 10.0315 numMergedOcc 0
28 mol 194 unq 4 iso 0 dist 9.48439 8.68698 5.48258 7.25062 8.29382 4.79043 numMergedOcc 0
29 mol 194 unq 5 iso 0 dist 9.48439 8.68698 5.48258 6.38935 6.72379 4.26755 numMergedOcc 0
30 mol 194 unq 6 iso 0 dist 9.48439 10.0346 6.15769 7.25062 8.29382 6.56076 numMergedOcc 0
31 mol 194 unq 7 iso 0 dist 9.48439 10.0346 6.15769 6.38935 6.72379 10.0315 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 8.64255 10.1284 8.99696 4.91904 7.50013 11.1666 numMergedOcc 0
33 mol 197 unq 1 iso 0 dist 8.64255 10.1284 8.99696 7.59634 5.81233 13.3562 numMergedOcc 0
34 mol 197 unq 2 iso 0 dist 8.64255 10.1284 8.99696 10.3181 6.92924 4.59269 numMergedOcc 0
35 mol 197 unq 3 iso 0 dist 8.64255 10.1284 8.99696 14.2718 7.14306 12.9766 numMergedOcc 0
36 mol 197 unq 4 iso 0 dist 8.64255 9.91133 7.85058 4.91904 7.50013 5.53129 numMergedOcc 0
37 mol 197 unq 5 iso 0 dist 8.64255 9.91133 7.85058 7.59634 5.81233 4.38296 numMergedOcc 0
38 mol 197 unq 6 iso 0 dist 8.64255 9.91133 7.85058 10.3181 6.92924 11.3267 numMergedOcc 0
39 mol 197 unq 7 iso 0 dist 8.64255 9.91133 7.85058 14.2718 7.14306 8.05362 numMergedOcc 0
40 mol 197 unq 8 iso 0 dist 8.64255 8.50763 9.96638 4.91904 7.50013 6.46195 numMergedOcc 0
41 mol 197 unq 9 iso 0 dist 8.64255 8.50763 9.96638 7.59634 5.81233 11.0356 numMergedOcc 0
42 mol 197 unq 10 iso 0 dist 8.64255 8.50763 9.96638 10.3181 6.92924 6.31157 numMergedOcc 0
43 mol 197 unq 11 iso 0 dist 8.64255 8.50763 9.96638 14.2718 7.14306 11.5276 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 5.00515 9.90298 6.16063 6.63685 6.30154 5.70413 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 5.00515 9.90298 6.16063 10.6768 7.32499 7.17691 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 9.31417 18.4149 9.29858 16.7165 9.24557 10.3809 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 5.56719 14.7671 9.29858 11.9863 9.24557 10.3809 numMergedOcc 0
48 mol 249 unq 0 iso 0 dist 7.29898 4.16447 8.83735 10.4369 5.48118 10.639 numMergedOcc 0
49 mol 249 unq 1 iso 0 dist 8.91685 6.74838 8.83735 13.4788 5.48118 10.639 numMergedOcc 0
50 mol 278 unq 0 iso 0 dist 9.82774 4.8589 6.35287 11.9007 8.00673 7.83538 numMergedOcc 0
51 mol 282 unq 0 iso 0 dist 5.67266 5.41716 8.8673 7.46507 9.0975 5.50768 numMergedOcc 0
52 mol 282 unq 1 iso 0 dist 5.80981 5.37323 8.8673 7.79565 9.0975 5.50768 numMergedOcc 0
53 mol 282 unq 2 iso 0 dist 9.63346 14.5422 8.8673 10.4926 9.0975 5.50768 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 9.6331 8.82942 7.04472 12.4627 6.89451 4.481 numMergedOcc 0
55 mol 287 unq 1 iso 0 dist 9.6331 7.49834 6.4778 12.4627 6.89451 12.237 numMergedOcc 0
56 mol 288 unq 0 iso 0 dist 9.6331 8.82942 7.04472 12.4627 6.89451 4.481 numMergedOcc 0
57 mol 288 unq 1 iso 0 dist 9.6331 7.49834 6.4778 12.4627 6.89451 12.237 numMergedOcc 0
58 mol 289 unq 0 iso 0 dist 9.6331 8.82942 7.04472 12.4627 6.89451 4.481 numMergedOcc 0
59 mol 289 unq 1 iso 0 dist 9.6331 7.49834 6.4778 12.4627 6.89451 12.237 numMergedOcc 0
