0 mol 17 unq 0 iso 0 dist 8.58468 5.22923 6.64199 7.30541 5.67737 8.55161 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.95007 5.22923 8.90155 7.30541 8.04504 8.55161 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.08536 3.94196 7.61183 8.88399 6.08168 5.65754 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.5865 14.3321 5.98867 11.7282 4.77227 6.53195 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.00684 6.02092 6.64921 9.22704 10.1574 7.75543 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.37034 3.81285 8.67342 6.27877 4.74629 7.51319 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.37034 3.81285 8.67342 10.5834 17.9238 9.43839 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 9.37034 6.17121 8.60062 14.5265 15.4494 8.66427 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 9.37034 6.17121 8.60062 6.27877 4.74629 8.49887 numMergedOcc 0
9 mol 85 unq 4 iso 0 dist 6.60091 3.81285 5.73739 6.27877 7.39588 7.51319 numMergedOcc 0
10 mol 85 unq 5 iso 0 dist 6.60091 3.81285 5.73739 10.5834 13.3413 9.43839 numMergedOcc 0
11 mol 85 unq 6 iso 0 dist 6.60091 6.17121 5.16225 14.5265 11.5575 8.66427 numMergedOcc 0
12 mol 85 unq 7 iso 0 dist 6.60091 6.17121 5.16225 6.27877 7.39588 8.49887 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.07154 5.0146 8.52131 11.606 9.01449 9.07315 numMergedOcc 0
14 mol 157 unq 0 iso 0 dist 9.46764 14.5881 9.46735 20.1585 13.4755 7.75542 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 9.05572 3.52268 9.84239 6.74185 5.94269 7.29985 numMergedOcc 0
16 mol 176 unq 1 iso 0 dist 9.05572 7.39809 9.1728 6.74185 5.94269 7.58281 numMergedOcc 0
17 mol 176 unq 2 iso 0 dist 9.05572 8.44347 8.0255 6.74185 5.94269 8.8756 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 6.77267 9.24382 5.4687 13.2903 7.94 5.19729 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 6.70738 3.65952 4.37138 6.17408 10.3685 8.99104 numMergedOcc 0
20 mol 239 unq 2 iso 0 dist 8.55314 7.05149 4.37138 6.17602 10.3685 8.99104 numMergedOcc 0
21 mol 251 unq 0 iso 0 dist 8.08045 3.46172 7.90148 7.73217 4.72905 8.15014 numMergedOcc 0
22 mol 251 unq 1 iso 0 dist 8.08045 3.46172 7.90148 9.34956 10.4064 6.06154 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 8.65743 11.313 8.61077 14.7255 11.9449 7.36137 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 8.65743 11.313 8.61077 13.1046 5.50447 6.83784 numMergedOcc 0
25 mol 266 unq 2 iso 0 dist 8.65743 13.005 9.11585 14.7255 11.9449 4.95415 numMergedOcc 0
26 mol 266 unq 3 iso 0 dist 8.65743 13.005 9.11585 13.1046 5.50447 6.38519 numMergedOcc 0
