0 mol 8 unq 0 iso 0 dist 6.68091 7.08043 6.92865 9.86938 6.88402 8.99126 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.979 4.78943 8.17898 9.05346 12.0005 7.03948 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.7307 6.94239 5.57389 12.502 7.01859 7.96497 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.61312 7.83419 9.22376 14.6315 13.0379 7.22293 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 6.97882 11.2491 9.1329 16.4798 11.1364 7.51358 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 6.97882 11.2491 9.1329 19.1819 16.0648 8.93296 numMergedOcc 0
6 mol 87 unq 2 iso 0 dist 6.97882 12.8734 9.03114 16.4798 11.1364 8.32298 numMergedOcc 0
7 mol 87 unq 3 iso 0 dist 9.4868 11.2491 5.26938 16.4798 7.62644 7.51358 numMergedOcc 0
8 mol 87 unq 4 iso 0 dist 9.4868 11.2491 5.26938 19.1819 10.8096 8.93296 numMergedOcc 0
9 mol 87 unq 5 iso 0 dist 9.4868 12.8734 8.91602 16.4798 7.62644 8.32298 numMergedOcc 0
10 mol 87 unq 6 iso 0 dist 7.7858 11.2195 9.1329 12.7901 11.1364 7.51358 numMergedOcc 0
11 mol 87 unq 7 iso 0 dist 7.7858 11.2195 9.1329 19.0685 16.0648 8.93296 numMergedOcc 0
12 mol 87 unq 8 iso 0 dist 7.7858 5.66355 9.03114 12.7901 11.1364 8.32298 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 5.74637 4.0486 7.76275 5.82918 8.71166 9.2603 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.53726 4.33359 6.30103 10.8442 9.81259 7.06013 numMergedOcc 0
15 mol 94 unq 0 iso 0 dist 6.91081 12.7331 9.10488 11.5929 7.0184 8.3586 numMergedOcc 0
16 mol 124 unq 0 iso 0 dist 9.7589 9.34008 7.23052 13.6617 10.5562 6.83051 numMergedOcc 0
17 mol 124 unq 1 iso 0 dist 9.7589 9.34008 7.23052 17.677 12.5603 9.28376 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 8.58317 4.70935 7.73139 12.3265 11.54 9.81878 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 5.52891 4.70935 8.62711 12.3265 13.376 9.81878 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 9.92685 10.5415 9.05626 9.82201 5.53247 6.89257 numMergedOcc 0
21 mol 130 unq 1 iso 0 dist 9.92685 10.5415 9.05626 15.6318 8.63186 8.74308 numMergedOcc 0
22 mol 132 unq 0 iso 0 dist 9.00166 4.90475 6.2403 10.9124 6.58856 6.03703 numMergedOcc 0
23 mol 132 unq 1 iso 0 dist 9.00166 6.34266 8.34869 10.9124 6.58856 7.61505 numMergedOcc 0
24 mol 132 unq 2 iso 0 dist 7.16287 4.90475 6.495 10.9124 10.343 6.03703 numMergedOcc 0
25 mol 132 unq 3 iso 0 dist 7.16287 6.34266 9.43748 10.9124 10.343 7.61505 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 9.46039 5.80488 9.18691 9.9492 9.53126 7.7056 numMergedOcc 0
27 mol 155 unq 0 iso 0 dist 5.16143 5.01007 8.66709 8.02593 7.00069 7.39644 numMergedOcc 0
28 mol 155 unq 1 iso 0 dist 5.16143 5.01007 8.66709 12.3723 14.2312 7.70572 numMergedOcc 0
29 mol 155 unq 2 iso 0 dist 8.08392 12.7814 8.66709 8.77391 7.00069 7.39644 numMergedOcc 0
30 mol 155 unq 3 iso 0 dist 8.08392 12.7814 8.66709 17.5742 14.2312 7.70572 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 7.7013 12.3666 6.73365 14.6759 7.92448 9.0664 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 4.45738 10.6493 7.7292 13.9578 11.695 5.90931 numMergedOcc 0
33 mol 219 unq 0 iso 0 dist 8.55971 5.0241 9.68515 7.1158 6.50565 4.87541 numMergedOcc 0
34 mol 219 unq 1 iso 0 dist 7.26376 5.0241 8.09769 7.1158 7.42613 4.87541 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 7.78329 4.53819 6.095 7.77951 5.17887 5.86443 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 7.78329 4.53819 6.095 11.042 5.52229 7.22914 numMergedOcc 0
37 mol 236 unq 0 iso 0 dist 8.20542 11.2013 9.97357 6.98151 11.4732 7.17676 numMergedOcc 0
38 mol 236 unq 1 iso 0 dist 8.20542 11.2013 9.97357 12.9923 14.1057 6.68463 numMergedOcc 0
39 mol 236 unq 2 iso 0 dist 8.20542 4.15973 6.36941 6.98151 11.4732 5.34718 numMergedOcc 0
40 mol 247 unq 0 iso 0 dist 8.21164 14.6138 7.29178 9.76925 4.15871 6.6838 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 9.17911 9.07364 9.67877 11.5077 13.6436 6.49982 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 9.52903 14.2753 9.67877 18.6418 13.6436 6.49982 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 7.38085 5.26991 8.82094 11.6311 10.6582 7.67853 numMergedOcc 0
44 mol 282 unq 0 iso 0 dist 8.42335 4.64783 8.58671 8.96997 4.91806 6.85028 numMergedOcc 0
45 mol 284 unq 0 iso 0 dist 8.77418 5.88217 7.32482 13.1279 9.91995 8.41504 numMergedOcc 0
