0 mol 17 unq 0 iso 0 dist 7.30541 5.22923 8.55161 8.58468 5.67737 6.64199 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.30541 5.22923 8.55161 7.95007 8.04504 8.90155 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.88399 3.94196 5.65754 9.08536 6.08168 7.61183 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.41313 5.21816 9.85386 10.5419 7.87577 7.9575 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.41313 5.21816 9.85386 10.3898 10.5032 5.88827 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.22704 6.02092 7.75543 6.00684 10.1574 6.64921 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.27877 3.81285 7.51319 9.37034 4.74629 8.67342 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 6.27877 3.81285 7.51319 6.60091 7.39588 5.73739 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 6.27877 6.17121 8.49887 9.37034 4.74629 8.60062 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 6.27877 6.17121 8.49887 6.60091 7.39588 5.16225 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 8.54948 9.17488 5.6516 15.1523 7.93366 8.73208 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 8.54948 9.17488 5.6516 11.3997 6.09578 5.60174 numMergedOcc 0
12 mol 136 unq 0 iso 0 dist 5.00698 11.5769 9.71312 15.2033 12.0111 8.71963 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 9.24242 8.25138 7.29985 13.8196 5.94269 9.84239 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 9.24242 7.10617 7.58281 13.8196 5.94269 9.1728 numMergedOcc 0
15 mol 176 unq 2 iso 0 dist 9.24242 10.5042 8.8756 13.8196 5.94269 8.0255 numMergedOcc 0
16 mol 176 unq 3 iso 0 dist 6.74185 3.52268 7.29985 9.05572 5.94269 9.84239 numMergedOcc 0
17 mol 176 unq 4 iso 0 dist 6.74185 7.39809 7.58281 9.05572 5.94269 9.1728 numMergedOcc 0
18 mol 176 unq 5 iso 0 dist 6.74185 8.44347 8.8756 9.05572 5.94269 8.0255 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.72113 4.90099 5.97886 10.7292 10.6036 8.15495 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 6.17408 3.65952 8.99104 6.70738 10.3685 4.37138 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 6.17602 7.05149 8.99104 8.55314 10.3685 4.37138 numMergedOcc 0
22 mol 251 unq 0 iso 0 dist 7.73217 3.46172 8.15014 8.08045 4.72905 7.90148 numMergedOcc 0
23 mol 251 unq 1 iso 0 dist 7.73217 3.46172 8.15014 12.7223 12.082 9.49019 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 8.08479 9.42852 7.36137 11.0051 6.69637 6.39822 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 8.08479 9.42852 7.36137 14.7298 11.9449 8.61077 numMergedOcc 0
26 mol 266 unq 2 iso 0 dist 8.08479 9.63536 4.95415 11.0051 6.69637 5.36518 numMergedOcc 0
27 mol 266 unq 3 iso 0 dist 8.08479 9.63536 4.95415 14.7298 11.9449 9.11585 numMergedOcc 0
