0 mol 34 unq 0 iso 0 dist 9.33027 7.05327 6.35031 4.79 8.2946 9.29284 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.2946 9.29284 6.35031 4.79 9.33027 7.05327 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 7.32707 7.05327 5.50427 4.79 9.25346 9.29284 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 9.25346 9.29284 5.50427 4.79 7.32707 7.05327 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 7.90574 7.05327 3.54863 4.79 11.4519 9.29284 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 7.34031 4.74786 3.50984 6.25741 10.0196 7.02387 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 5.9249 5.82384 4.31939 5.34143 9.26568 7.15907 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.01743 7.15907 5.41884 5.34143 9.71811 5.82384 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.05495 6.54289 7.66499 9.50271 12.216 7.52869 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.05495 6.54289 7.66499 10.7981 10.5858 9.18945 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.1539 7.03417 9.04084 5.06359 10.8245 5.32369 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 6.72712 5.32369 3.87825 5.06359 5.39745 7.03417 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 5.39745 7.03417 3.87825 5.06359 6.72712 5.32369 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 5.79343 7.93956 5.99273 6.77746 10.1333 9.26486 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 6.13559 8.61909 3.67473 14.2871 9.52562 5.96977 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 6.05323 8.22067 5.64188 5.39126 9.67663 8.90564 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 7.43663 5.69634 6.67757 5.32617 10.0212 7.91374 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 7.43663 5.69634 6.67757 6.31377 12.2132 7.35086 numMergedOcc 0
18 mol 234 unq 2 iso 0 dist 7.43663 5.69634 6.67757 9.35875 7.94068 6.81195 numMergedOcc 0
19 mol 234 unq 3 iso 0 dist 7.94068 6.81195 6.67757 9.35875 7.43663 5.69634 numMergedOcc 0
20 mol 234 unq 4 iso 0 dist 7.94068 6.81195 6.67757 7.63571 10.0212 7.91374 numMergedOcc 0
21 mol 234 unq 5 iso 0 dist 7.94068 6.81195 6.67757 9.51353 12.2132 7.35086 numMergedOcc 0
22 mol 234 unq 6 iso 0 dist 9.25517 7.35086 3.64991 6.31377 9.28101 5.69634 numMergedOcc 0
23 mol 234 unq 7 iso 0 dist 9.25517 7.35086 3.64991 4.74042 10.5308 7.91374 numMergedOcc 0
24 mol 234 unq 8 iso 0 dist 9.25517 7.35086 3.64991 9.51353 7.22019 6.81195 numMergedOcc 0
25 mol 234 unq 9 iso 0 dist 7.22019 6.81195 3.64991 9.35875 9.28101 5.69634 numMergedOcc 0
26 mol 234 unq 10 iso 0 dist 7.22019 6.81195 3.64991 7.63571 10.5308 7.91374 numMergedOcc 0
27 mol 234 unq 11 iso 0 dist 7.22019 6.81195 3.64991 9.51353 9.25517 7.35086 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 8.08764 5.50017 7.18773 7.98994 9.01462 9.99181 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 9.01462 9.99181 7.18773 7.98994 8.08764 5.50017 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 5.97993 8.73744 4.14699 4.81479 6.44252 6.61917 numMergedOcc 0
31 mol 250 unq 1 iso 0 dist 6.44252 6.61917 4.14699 4.81479 5.97993 8.73744 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 5.40318 5.94614 6.31696 10.7936 13.9273 8.03604 numMergedOcc 0
