0 mol 21 unq 0 iso 0 dist 7.48808 6.51419 5.68808 10.1586 11.3571 9.42165 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 8.23258 8.11814 8.15001 15.9516 14.993 9.7641 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 8.07389 8.42544 12.7776 15.7633 9.97844 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.90024 8.07389 6.09486 12.7776 12.5893 9.97844 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 6.78532 8.07389 4.40385 12.7776 13.8701 9.97844 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 6.77833 9.54062 10.1702 11.6402 10.1127 7.49737 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 8.30653 9.29166 15.4825 11.3714 19.489 7.49737 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 8.63742 9.41961 9.58894 10.0817 15.1297 7.49737 numMergedOcc 0
8 mol 70 unq 3 iso 0 dist 6.91739 9.29166 9.58894 11.3714 15.1297 7.49737 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.9795 8.58689 5.83941 6.14753 10.7029 5.98626 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.9795 7.82214 5.46695 6.14753 10.7029 7.54915 numMergedOcc 0
11 mol 89 unq 0 iso 0 dist 8.85873 7.00136 4.30591 11.2532 6.36021 9.63477 numMergedOcc 0
12 mol 89 unq 1 iso 0 dist 7.3606 7.00136 5.1661 11.2532 12.5644 9.63477 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 6.34542 9.76075 6.3561 11.5209 8.42147 7.22098 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.42271 6.94623 10.7371 8.7669 11.4625 7.59996 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 4.93681 7.97859 6.05056 5.20379 7.57458 6.00045 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 9.57509 9.28039 6.62272 11.3375 10.4484 6.00045 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 6.44195 5.7306 4.66975 13.588 13.7834 9.58365 numMergedOcc 0
18 mol 154 unq 1 iso 0 dist 7.34207 5.7306 9.20471 13.588 13.7094 9.58365 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 7.70631 6.18166 4.91336 13.2776 11.0336 8.8252 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 5.82039 9.1579 6.13816 13.5193 10.1373 5.71819 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 5.82039 9.1579 6.13816 10.3181 8.31638 8.48679 numMergedOcc 0
22 mol 206 unq 2 iso 0 dist 5.82039 9.1579 6.13816 5.85716 10.0788 9.86924 numMergedOcc 0
23 mol 206 unq 3 iso 0 dist 5.82039 9.1579 6.13816 8.09615 9.72979 7.44186 numMergedOcc 0
24 mol 206 unq 4 iso 0 dist 6.22964 9.1579 9.20417 13.5193 14.8326 5.71819 numMergedOcc 0
25 mol 206 unq 5 iso 0 dist 6.22964 9.1579 9.20417 10.3181 14.4113 8.48679 numMergedOcc 0
26 mol 206 unq 6 iso 0 dist 6.22964 9.1579 9.20417 5.85716 9.38127 9.86924 numMergedOcc 0
27 mol 206 unq 7 iso 0 dist 6.22964 9.1579 9.20417 8.09615 6.97859 7.44186 numMergedOcc 0
28 mol 217 unq 0 iso 0 dist 7.58097 8.57319 11.9372 6.7582 10.8146 7.01604 numMergedOcc 0
29 mol 237 unq 0 iso 0 dist 7.77366 9.81108 7.33449 12.914 13.9688 7.14928 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 6.52188 8.89904 9.89602 10.5502 15.1175 8.24853 numMergedOcc 0
31 mol 285 unq 0 iso 0 dist 9.82717 6.02774 6.40962 14.401 8.71213 8.45077 numMergedOcc 0
