0 mol 5 unq 0 iso 0 dist 7.4332 10.3223 9.22067 8.33646 6.14476 11.9525 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.4332 7.05332 8.49537 8.33646 6.14476 4.66108 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.83083 4.82016 9.9373 5.4053 8.3613 8.30337 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 7.83083 10.8001 8.4881 5.4053 8.3613 8.41861 numMergedOcc 0
4 mol 10 unq 2 iso 0 dist 9.05394 13.0047 9.9373 5.62174 8.3613 8.30337 numMergedOcc 0
5 mol 10 unq 3 iso 0 dist 9.05394 11.9249 8.4881 5.62174 8.3613 8.41861 numMergedOcc 0
6 mol 10 unq 4 iso 0 dist 6.90469 13.5354 9.97671 5.4053 9.33141 14.6965 numMergedOcc 0
7 mol 10 unq 5 iso 0 dist 6.90469 4.82016 7.83087 5.4053 9.33141 8.30337 numMergedOcc 0
8 mol 10 unq 6 iso 0 dist 6.90469 10.8001 9.37129 5.4053 9.33141 8.41861 numMergedOcc 0
9 mol 11 unq 0 iso 0 dist 9.74528 9.67038 5.47299 7.86896 6.84216 10.0791 numMergedOcc 0
10 mol 28 unq 0 iso 0 dist 8.66738 12.2504 9.28621 9.10555 8.95154 7.26052 numMergedOcc 0
11 mol 28 unq 1 iso 0 dist 8.66738 6.81477 8.94643 9.10555 8.95154 6.23081 numMergedOcc 0
12 mol 28 unq 2 iso 0 dist 8.66738 5.88912 8.36195 9.10555 8.95154 10.3067 numMergedOcc 0
13 mol 32 unq 0 iso 0 dist 8.70331 12.2361 7.72377 14.036 8.91596 8.67041 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 8.66427 15.4494 8.60062 8.38101 5.85237 7.96997 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 8.66427 15.4494 8.60062 9.01135 9.11768 14.6422 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 8.66427 11.5575 5.16225 8.38101 5.85237 9.51195 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 8.66427 11.5575 5.16225 9.01135 9.11768 14.228 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 7.51319 4.74629 8.67342 10.7979 7.69926 7.96997 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 7.51319 7.39588 5.73739 10.7979 7.69926 9.51195 numMergedOcc 0
20 mol 85 unq 6 iso 0 dist 8.49887 4.74629 8.60062 10.7979 5.85237 7.96997 numMergedOcc 0
21 mol 85 unq 7 iso 0 dist 8.49887 4.74629 8.60062 15.9875 9.11768 14.6422 numMergedOcc 0
22 mol 85 unq 8 iso 0 dist 8.49887 7.39588 5.16225 10.7979 5.85237 9.51195 numMergedOcc 0
23 mol 85 unq 9 iso 0 dist 8.49887 7.39588 5.16225 15.9875 9.11768 14.228 numMergedOcc 0
24 mol 85 unq 10 iso 0 dist 9.43839 17.9238 8.67342 14.4751 7.69926 7.96997 numMergedOcc 0
25 mol 85 unq 11 iso 0 dist 9.43839 13.3413 5.73739 14.4751 7.69926 9.51195 numMergedOcc 0
26 mol 88 unq 0 iso 0 dist 5.6516 7.93366 8.73208 6.63027 7.74064 6.49171 numMergedOcc 0
27 mol 88 unq 1 iso 0 dist 5.6516 6.09578 5.60174 6.63027 7.74064 7.86667 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 9.07315 9.01449 8.52131 10.0459 7.59457 14.5814 numMergedOcc 0
29 mol 152 unq 1 iso 0 dist 9.07315 9.01449 8.52131 14.7437 9.00072 16.8649 numMergedOcc 0
30 mol 152 unq 2 iso 0 dist 9.07315 9.01449 8.52131 10.719 7.55419 12.692 numMergedOcc 0
31 mol 157 unq 0 iso 0 dist 7.75542 13.4755 9.46735 11.5877 8.10592 6.91388 numMergedOcc 0
32 mol 228 unq 0 iso 0 dist 6.9196 14.3169 9.45974 5.85714 9.25785 12.8654 numMergedOcc 0
33 mol 228 unq 1 iso 0 dist 6.72203 14.5139 9.86348 5.79543 9.01231 13.0265 numMergedOcc 0
34 mol 251 unq 0 iso 0 dist 8.15014 4.72905 7.90148 7.54315 8.45764 10.2078 numMergedOcc 0
35 mol 251 unq 1 iso 0 dist 8.15014 12.082 9.49019 7.54315 8.45764 8.97986 numMergedOcc 0
36 mol 251 unq 2 iso 0 dist 6.06154 10.4064 7.90148 6.33949 8.45764 10.2078 numMergedOcc 0
37 mol 251 unq 3 iso 0 dist 6.06154 4.79134 9.49019 6.33949 8.45764 8.97986 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 4.95415 6.69637 5.36518 5.98169 9.29666 11.9164 numMergedOcc 0
39 mol 266 unq 1 iso 0 dist 4.95415 11.9449 9.11585 5.98169 9.29666 17.05 numMergedOcc 0
40 mol 266 unq 2 iso 0 dist 6.38519 5.60874 5.36518 13.8919 9.29666 11.9164 numMergedOcc 0
41 mol 266 unq 3 iso 0 dist 6.38519 5.50447 9.11585 13.8919 9.29666 17.05 numMergedOcc 0
