0 mol 25 unq 0 iso 0 dist 9.58408 9.07927 16.653 12.3669 21.7338 9.87281 6.44262 16.0118 7.31767 6.17631 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.58408 8.50987 16.4918 12.3669 21.7338 7.63928 6.44262 16.0118 6.03987 6.17631 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 9.50768 5.67627 5.82783 5.46557 12.5561 7.12423 11.4974 10.5944 9.0709 13.6102 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 8.91629 6.44766 5.29825 11.2112 7.46875 7.81337 7.69184 12.0117 6.85062 11.4498 numMergedOcc 0
4 mol 180 unq 0 iso 0 dist 7.11542 7.24785 6.93557 16.5686 15.8981 9.88732 14.0966 16.3276 9.62337 6.54937 numMergedOcc 0
5 mol 180 unq 1 iso 0 dist 7.11542 7.24785 6.93557 11.9699 11.2584 5.77949 14.0966 16.3276 9.62337 6.91082 numMergedOcc 0
6 mol 180 unq 2 iso 0 dist 7.11542 7.24785 6.93557 14.8912 12.4704 8.68403 14.0966 16.3276 9.62337 10.1423 numMergedOcc 0
7 mol 180 unq 3 iso 0 dist 7.11542 7.24785 6.93557 4.80648 9.19555 5.80441 14.0966 16.3276 9.62337 9.82186 numMergedOcc 0
8 mol 180 unq 4 iso 0 dist 6.43834 7.53287 6.93557 15.4961 15.8981 9.88732 14.0344 16.3276 9.62337 6.54937 numMergedOcc 0
9 mol 180 unq 5 iso 0 dist 6.43834 7.53287 6.93557 10.2233 11.2584 5.77949 14.0344 16.3276 9.62337 6.91082 numMergedOcc 0
10 mol 180 unq 6 iso 0 dist 6.43834 7.53287 6.93557 12.1751 12.4704 8.68403 14.0344 16.3276 9.62337 10.1423 numMergedOcc 0
11 mol 180 unq 7 iso 0 dist 6.43834 7.53287 6.93557 5.28726 9.19555 5.80441 14.0344 16.3276 9.62337 9.82186 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 6.99973 5.07968 6.81956 6.85536 12.1747 7.16386 4.58603 10.6097 9.41367 9.02283 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 8.27605 8.81925 11.2593 9.27187 15.7405 9.55777 9.75789 16.5465 8.01589 6.54251 numMergedOcc 0
14 mol 222 unq 1 iso 0 dist 8.27605 8.81925 11.2593 9.27187 15.7405 9.55777 12.7799 14.9816 7.7699 15.3892 numMergedOcc 0
15 mol 222 unq 2 iso 0 dist 8.27605 8.81925 11.2593 9.27187 15.7405 9.55777 12.5625 11.7367 7.21333 16.4881 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 7.68999 9.68636 5.65373 12.8446 13.0602 8.6537 10.705 8.8557 8.22528 8.65216 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 7.68999 9.68636 5.65373 12.8446 13.0602 8.6537 5.6419 5.00457 7.03423 10.7439 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 8.70264 7.17987 7.54044 14.3029 11.7673 7.86368 14.7629 11.3677 9.45496 12.0816 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 8.70264 7.17987 7.54044 14.3029 11.7673 7.86368 13.5847 12.8905 6.7625 6.94762 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.8444 9.94587 5.33697 5.6925 9.18345 6.24928 4.3284 6.06422 6.57393 5.33567 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 9.73405 9.94587 17.5803 5.6925 13.9474 6.24928 4.3284 11.4704 6.57393 5.33567 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 9.65416 9.60619 5.31331 15.5414 12.0665 7.74162 9.96126 12.6214 9.70696 9.5773 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 8.85233 6.07571 9.38462 11.4534 15.0526 9.20416 8.66797 10.7927 8.2734 5.26243 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 8.85233 6.07571 9.38462 4.49811 7.40069 7.53641 8.66797 10.7927 8.2734 5.58251 numMergedOcc 0
25 mol 292 unq 2 iso 0 dist 7.06322 6.07571 5.81799 11.4534 14.5129 9.20416 8.66797 13.4688 8.2734 5.26243 numMergedOcc 0
26 mol 292 unq 3 iso 0 dist 7.06322 6.07571 5.81799 4.49811 10.7581 7.53641 8.66797 13.4688 8.2734 5.58251 numMergedOcc 0
