0 mol 12 unq 0 iso 0 dist 8.8993 10.964 9.42122 5.70264 5.25583 6.32851 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.46263 6.11985 5.76314 9.34149 6.25196 4.11549 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.46263 6.11985 5.76314 13.5048 8.88159 8.12687 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.09269 11.5076 8.19721 9.56193 6.30202 9.59858 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.24862 10.9926 7.52742 8.97392 9.37034 4.77114 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.24862 10.9926 7.52742 13.2626 6.60091 4.4924 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 9.04371 15.0052 8.17327 10.2676 5.51155 13.1199 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 6.50917 15.0052 9.52936 10.2676 8.29601 13.1199 numMergedOcc 0
8 mol 91 unq 2 iso 0 dist 8.56547 7.15993 8.42914 8.92868 8.18876 13.1199 numMergedOcc 0
9 mol 91 unq 3 iso 0 dist 5.23177 7.15993 8.17327 8.92868 5.51155 13.1199 numMergedOcc 0
10 mol 91 unq 4 iso 0 dist 6.77052 7.15993 9.52936 8.92868 8.29601 13.1199 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 7.3098 6.99392 9.86236 11.0301 8.96628 8.15449 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.90038 10.5642 9.86236 15.767 8.96628 8.15449 numMergedOcc 0
13 mol 125 unq 0 iso 0 dist 9.505 9.1432 7.0188 17.3752 9.5205 13.2837 numMergedOcc 0
14 mol 125 unq 1 iso 0 dist 9.505 9.1432 7.0188 14.0615 7.1608 8.93863 numMergedOcc 0
15 mol 125 unq 2 iso 0 dist 5.33187 6.82442 7.0188 11.3588 9.5205 13.2837 numMergedOcc 0
16 mol 125 unq 3 iso 0 dist 5.33187 6.82442 7.0188 8.11254 7.1608 8.93863 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 7.66242 14.0134 8.95504 7.65279 7.36833 11.8638 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 6.8557 12.3225 9.06541 8.33682 9.83024 16.5906 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 6.13127 4.7869 9.06541 12.9836 9.83024 16.5906 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 6.4889 4.26558 8.80432 7.54525 9.85857 5.87133 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 9.24924 16.0925 9.74822 7.04495 8.57375 11.4035 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 9.72248 15.535 9.74822 9.44903 8.57375 11.4035 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.80478 11.5033 5.06731 12.2037 4.75392 6.45653 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.80478 11.5033 5.06731 15.1358 8.61667 9.67944 numMergedOcc 0
25 mol 287 unq 2 iso 0 dist 9.22409 6.81421 5.06731 6.95862 4.75392 6.45653 numMergedOcc 0
26 mol 287 unq 3 iso 0 dist 9.22409 6.81421 5.06731 6.1041 8.61667 9.67944 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 7.80478 11.5033 5.06731 12.2037 4.75392 6.45653 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 7.80478 11.5033 5.06731 15.1358 8.61667 9.67944 numMergedOcc 0
29 mol 288 unq 2 iso 0 dist 9.22409 6.81421 5.06731 6.95862 4.75392 6.45653 numMergedOcc 0
30 mol 288 unq 3 iso 0 dist 9.22409 6.81421 5.06731 6.1041 8.61667 9.67944 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 7.80478 11.5033 5.06731 12.2037 4.75392 6.45653 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 7.80478 11.5033 5.06731 15.1358 8.61667 9.67944 numMergedOcc 0
33 mol 289 unq 2 iso 0 dist 9.22409 6.81421 5.06731 6.95862 4.75392 6.45653 numMergedOcc 0
34 mol 289 unq 3 iso 0 dist 9.22409 6.81421 5.06731 6.1041 8.61667 9.67944 numMergedOcc 0
