0 mol 8 unq 0 iso 0 dist 8.94096 14.5611 7.12263 14.4294 5.65816 7.27018 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.07858 12.9762 7.12263 11.4415 5.65816 7.27018 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.04924 6.81435 5.55437 9.57198 7.28672 8.076 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 7.25684 7.77807 5.38458 10.1029 5.60208 6.32226 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.22285 6.93413 5.38458 11.621 5.60208 6.32226 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 7.30343 5.75015 6.86146 12.0705 7.57639 7.31784 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.20197 10.4552 7.39754 14.3836 5.8102 8.29345 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.30176 4.94804 7.39754 12.5621 15.1698 8.57827 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 8.30176 4.94804 7.39754 11.9396 6.82081 7.94453 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 8.30176 4.76302 9.01011 6.95465 9.01596 7.39179 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 7.20953 6.14305 8.44437 10.2291 7.41096 7.71923 numMergedOcc 0
11 mol 105 unq 1 iso 0 dist 7.20953 6.14305 8.44437 10.4111 4.88348 9.87821 numMergedOcc 0
12 mol 105 unq 2 iso 0 dist 7.20953 6.14305 8.44437 5.03173 4.22355 7.09806 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 9.9928 6.03931 8.71286 5.60389 9.18958 8.85881 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 9.87025 11.1324 8.03035 11.1099 6.96805 8.8562 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 9.87025 11.1324 8.03035 18.7646 13.3975 7.91683 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 5.85818 8.96522 8.03035 11.8717 6.96805 8.8562 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 5.85818 8.96522 8.03035 15.8603 13.3975 7.91683 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.39683 12.4067 7.76594 14.0282 5.66194 5.39061 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 6.40901 7.12863 5.73236 9.30424 5.99865 6.95372 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 8.49473 13.3907 5.90883 19.098 11.3995 7.46845 numMergedOcc 0
21 mol 156 unq 1 iso 0 dist 6.87906 10.5496 5.90883 17.5659 11.3995 7.46845 numMergedOcc 0
22 mol 156 unq 2 iso 0 dist 9.54367 10.5496 8.06913 17.5659 11.6326 7.46845 numMergedOcc 0
23 mol 156 unq 3 iso 0 dist 7.94975 9.19336 5.90883 14.6329 11.3995 7.46845 numMergedOcc 0
24 mol 156 unq 4 iso 0 dist 7.26859 9.19336 8.06913 14.6329 11.6326 7.46845 numMergedOcc 0
25 mol 156 unq 5 iso 0 dist 9.39865 4.24398 5.90883 9.67663 11.3995 7.46845 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 5.73148 7.48646 7.82546 10.4506 6.29877 7.32555 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.59034 8.37278 7.23293 11.6006 5.91678 5.45675 numMergedOcc 0
28 mol 193 unq 0 iso 0 dist 7.94747 5.91268 5.44396 7.60625 6.03632 7.8141 numMergedOcc 0
29 mol 193 unq 1 iso 0 dist 7.94747 5.91268 5.44396 14.168 10.6169 8.43187 numMergedOcc 0
30 mol 193 unq 2 iso 0 dist 8.76185 11.5632 5.44396 10.3878 3.98356 8.67745 numMergedOcc 0
31 mol 193 unq 3 iso 0 dist 8.76185 5.08201 6.22972 10.3878 3.98356 9.41624 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 9.77862 12.0339 5.52678 11.6497 5.92931 6.37788 numMergedOcc 0
33 mol 194 unq 1 iso 0 dist 9.77862 18.7006 9.81666 11.6497 5.92931 8.7028 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 5.13453 8.99405 6.53728 14.999 14.3973 9.23935 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 5.13453 8.99405 6.53728 15.6422 13.923 7.77552 numMergedOcc 0
36 mol 225 unq 2 iso 0 dist 7.29542 7.13893 6.53728 7.73748 6.59663 8.20162 numMergedOcc 0
37 mol 237 unq 0 iso 0 dist 7.33613 8.97735 7.63812 9.27395 5.90415 5.6703 numMergedOcc 0
38 mol 237 unq 1 iso 0 dist 7.33613 8.97735 7.63812 7.55103 9.2471 8.72819 numMergedOcc 0
39 mol 237 unq 2 iso 0 dist 7.35569 16.0031 9.84466 17.6256 10.634 6.11495 numMergedOcc 0
