0 mol 25 unq 0 iso 0 dist 9.86224 7.52416 6.69002 16.5113 6.85556 11.8565 14.6002 5.68392 12.1471 6.03987 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.20373 8.97716 5.7405 15.0205 6.14538 10.4238 10.042 4.29856 5.59773 6.83299 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 7.1754 5.22656 9.1593 7.77542 7.80975 12.3004 13.6846 7.97897 16.8925 8.87449 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 7.1754 5.22656 9.1593 11.0907 7.10378 10.9755 14.768 10.6848 16.6322 7.17106 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.21645 5.94065 5.58734 11.6494 8.00003 6.83988 16.8793 10.4376 12.1173 6.18601 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 6.87196 8.28869 5.96506 10.9365 7.96646 5.15286 13.2314 6.73735 10.2741 9.28393 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.93309 4.83663 5.80404 10.4303 9.22232 6.80292 15.5187 16.0138 13.0521 7.11802 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 6.10069 4.91642 7.70894 9.92385 9.47433 11.8579 15.4121 11.9952 16.1718 7.44554 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 6.40435 13.5806 9.6281 11.0374 9.44367 5.0966 10.2339 5.4555 7.30021 7.44554 numMergedOcc 0
9 mol 156 unq 2 iso 0 dist 6.40435 13.5806 9.6281 9.75709 7.90267 5.75141 9.68507 6.03934 10.6034 7.66148 numMergedOcc 0
10 mol 156 unq 3 iso 0 dist 6.40435 13.5806 9.6281 9.75709 7.90267 5.75141 10.2339 5.4555 7.30021 8.94056 numMergedOcc 0
11 mol 156 unq 4 iso 0 dist 6.40435 4.87536 6.22667 11.0374 9.44367 9.07974 10.2339 5.4555 10.0734 7.44554 numMergedOcc 0
12 mol 156 unq 5 iso 0 dist 6.40435 4.87536 6.22667 9.75709 7.90267 5.70205 9.68507 6.03934 6.71202 7.66148 numMergedOcc 0
13 mol 156 unq 6 iso 0 dist 6.40435 4.87536 6.22667 9.75709 7.90267 5.70205 10.2339 5.4555 10.0734 8.94056 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.58118 11.0161 9.05637 5.1021 6.59716 6.24624 6.21273 7.11498 13.1834 9.23153 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.90065 13.2881 8.61546 9.69354 7.43071 14.5234 15.2006 6.00424 10.2913 9.34734 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 9.90065 13.2881 8.61546 9.69354 7.43071 14.5234 13.7795 6.35849 14.5974 7.22101 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 9.90065 13.2881 8.61546 9.69354 7.43071 14.5234 17.4849 10.204 17.402 8.65997 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 9.90065 13.2881 8.61546 9.69354 7.43071 14.5234 14.5325 9.76735 13.1699 7.56888 numMergedOcc 0
19 mol 227 unq 4 iso 0 dist 9.90065 13.2881 8.61546 9.69354 7.43071 14.5234 11.3124 9.32448 11.3667 7.55216 numMergedOcc 0
20 mol 227 unq 5 iso 0 dist 9.90065 13.2881 8.61546 7.00512 6.02296 13.552 13.7795 6.35849 14.5974 7.09863 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 8.80866 8.02302 8.53033 5.44123 7.16525 6.12544 11.505 4.30004 12.4697 9.56569 numMergedOcc 0
