0 mol 16 unq 0 iso 0 dist 7.979 9.56648 10.1395 5.96976 5.36911 12.137 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 6.73481 9.12482 6.31736 7.7212 9.19374 14.3628 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.34804 6.23298 10.2575 12.2427 9.42982 17.3999 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.34804 6.23298 10.2575 7.29309 8.17929 9.30836 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 8.34804 6.23298 10.2575 4.31746 5.63802 6.58279 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.09675 6.70925 7.78899 8.49877 8.3768 9.30305 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.09675 6.70925 7.78899 7.25285 8.13535 5.30477 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.02753 8.95756 7.78899 4.6403 8.3768 9.30305 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.02753 8.95756 7.78899 5.90782 8.13535 5.30477 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 5.53726 9.88184 7.30364 11.0631 7.31426 7.2131 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 5.37819 5.57712 5.88809 13.962 8.96747 12.1543 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 7.22737 5.5199 6.63446 5.08458 7.73086 9.83799 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 9.22651 8.07962 6.43211 10.9578 8.62829 12.6609 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 9.22651 9.54857 6.93587 10.9578 8.62829 14.5367 numMergedOcc 0
14 mol 102 unq 2 iso 0 dist 5.32892 7.58908 6.43211 6.21757 8.62829 12.6609 numMergedOcc 0
15 mol 102 unq 3 iso 0 dist 5.32892 9.32058 6.93587 6.21757 8.62829 14.5367 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 6.36357 9.81273 15.288 11.6508 9.68619 19.9011 numMergedOcc 0
17 mol 103 unq 1 iso 0 dist 6.36357 6.67575 8.47667 11.6508 9.68619 11.7527 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 8.56386 9.28454 10.9839 12.3975 9.04549 18.9687 numMergedOcc 0
19 mol 123 unq 1 iso 0 dist 8.56386 7.97266 9.13867 12.3975 9.04549 15.3959 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 9.28415 6.32669 7.38452 12.541 8.46376 14.3082 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 9.21476 6.00651 4.93993 7.38323 9.77522 5.08863 numMergedOcc 0
22 mol 147 unq 1 iso 0 dist 9.21476 8.52428 7.55402 7.38323 9.77522 13.8667 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 8.37231 9.51731 3.96207 7.15755 9.0087 8.62413 numMergedOcc 0
24 mol 185 unq 0 iso 0 dist 7.64068 5.40655 4.81985 6.26644 6.68054 8.56136 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 8.40718 5.67196 11.2342 15.9432 9.23676 19.8382 numMergedOcc 0
26 mol 217 unq 0 iso 0 dist 8.80103 5.89788 5.21449 10.7793 7.63191 6.14304 numMergedOcc 0
27 mol 244 unq 0 iso 0 dist 9.53211 9.91271 6.33602 9.01951 9.97458 11.642 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 6.73794 8.78928 4.62586 14.6347 9.57659 11.3754 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 6.73794 8.78928 4.62586 10.6008 7.8424 11.0319 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 8.299 7.87072 9.69939 6.68035 5.94449 6.12347 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 8.299 7.87072 9.69939 4.47851 8.61452 8.79637 numMergedOcc 0
32 mol 279 unq 2 iso 0 dist 8.299 7.87072 9.69939 13.5015 7.66302 14.9954 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 8.55037 5.27236 9.06411 7.33654 7.14502 6.1268 numMergedOcc 0
