0 mol 10 unq 0 iso 0 dist 6.50444 5.94361 6.18431 3.5691 6.77807 7.60549 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.50001 4.46394 6.859 9.80646 9.89425 6.76736 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.97769 13.903 8.60614 4.47278 5.7147 10.086 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.94703 4.04757 9.98592 11.0715 8.85286 8.9018 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.90986 14.288 6.81793 3.30063 8.97754 12.5394 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 4.47883 9.73623 6.21128 8.86007 7.31718 6.67385 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 4.47883 9.73623 6.21128 4.87664 5.47447 10.8632 numMergedOcc 0
7 mol 41 unq 2 iso 0 dist 4.47883 10.3598 9.57024 8.86007 7.31718 9.22096 numMergedOcc 0
8 mol 41 unq 3 iso 0 dist 4.47883 10.3598 9.57024 4.87664 5.47447 13.6273 numMergedOcc 0
9 mol 41 unq 4 iso 0 dist 6.07514 7.10946 6.21128 9.57521 7.31718 6.67385 numMergedOcc 0
10 mol 41 unq 5 iso 0 dist 6.07514 7.10946 6.21128 10.2413 5.47447 10.8632 numMergedOcc 0
11 mol 41 unq 6 iso 0 dist 6.07514 5.28774 9.57024 9.57521 7.31718 9.22096 numMergedOcc 0
12 mol 41 unq 7 iso 0 dist 6.07514 5.28774 9.57024 10.2413 5.47447 13.6273 numMergedOcc 0
13 mol 46 unq 0 iso 0 dist 7.57749 6.70122 5.43693 9.83606 5.4713 3.57198 numMergedOcc 0
14 mol 46 unq 1 iso 0 dist 8.55202 10.7567 5.43693 8.99132 5.4713 3.57198 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 9.762 7.25285 5.7684 8.22845 4.27766 4.1846 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 6.63973 13.5835 8.77077 9.68005 5.45099 3.94039 numMergedOcc 0
17 mol 76 unq 1 iso 0 dist 6.63973 13.5835 8.77077 14.6547 8.44765 5.61505 numMergedOcc 0
18 mol 76 unq 2 iso 0 dist 6.63973 13.5835 8.77077 14.1202 9.06643 8.43884 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 8.57705 4.32712 8.02443 8.65738 8.18375 6.07693 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 8.57705 11.1935 9.09458 8.65738 8.18375 5.25584 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 5.56446 12.541 7.58337 7.06015 5.95801 10.3222 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 5.56446 12.541 7.58337 6 9.92715 17.5034 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 9.23064 4.10406 9.85438 7.13766 7.0961 7.27069 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 9.23064 4.10406 9.85438 7.29489 8.26768 4.51252 numMergedOcc 0
25 mol 168 unq 2 iso 0 dist 7.30338 4.10406 9.42807 7.13766 8.21227 7.27069 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 8.54444 6.9276 6.05009 9.63929 8.93091 5.68902 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 6.51523 4.98945 7.47964 11.244 9.68512 8.77204 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 8.27396 12.4352 7.58375 9.10254 5.23187 4.12242 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 6.52441 6.33168 6.88127 12.7948 9.34653 13.2309 numMergedOcc 0
30 mol 193 unq 0 iso 0 dist 7.85801 9.87367 8.15661 11.9413 6.94187 5.96435 numMergedOcc 0
31 mol 235 unq 0 iso 0 dist 5.39924 4.32578 7.39085 6.13843 9.24564 8.80447 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 6.22195 6.00136 9.63518 9.9168 9.83672 13.8751 numMergedOcc 0
33 mol 282 unq 0 iso 0 dist 7.60738 9.11162 9.38222 3.81283 9.06947 10.2578 numMergedOcc 0
