0 mol 26 unq 0 iso 0 dist 7.22361 6.99742 6.36636 11.3644 6.15893 11.2969 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.33027 9.26362 9.87332 4.79 8.2946 12.4684 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.33027 7.05327 6.35031 4.79 8.2946 9.29284 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 8.2946 9.29284 6.35031 4.79 9.33027 7.05327 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 7.32707 9.26362 3.9873 4.79 9.25346 12.4684 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 7.32707 7.05327 5.50427 4.79 9.25346 9.29284 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 9.25346 9.29284 5.50427 4.79 7.32707 7.05327 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 7.70625 8.50375 5.85737 5.79982 7.21995 11.3159 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 6.01423 8.50375 3.61653 5.79982 9.62637 11.3159 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 7.6481 8.55712 10.7828 13.9773 9.11258 19.1625 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 9.63599 9.11491 5.84075 9.20479 8.01743 8.90324 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 8.01743 7.15907 5.41884 9.20479 9.63599 12.3393 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.72712 5.32369 3.87825 5.06359 5.39745 7.03417 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 5.39745 7.03417 3.87825 5.06359 6.72712 5.32369 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 5.79343 7.93956 5.99273 7.68699 8.809 12.6545 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 6.13559 8.61909 3.67473 5.74742 9.83981 11.6024 numMergedOcc 0
16 mol 114 unq 2 iso 0 dist 6.13559 8.61909 3.67473 7.50948 6.51395 9.97296 numMergedOcc 0
17 mol 116 unq 0 iso 0 dist 6.49383 6.28029 4.13755 6.36898 7.35992 10.0811 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 4.25566 6.50336 3.80087 7.41037 6.63171 10.3574 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 4.25566 6.50336 3.80087 6.97263 7.67273 10.9275 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 7.13252 7.61421 13.4378 5.3528 9.06217 11.7261 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 7.43663 5.69634 6.67757 9.35875 7.94068 6.81195 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 7.94068 6.81195 6.67757 9.35875 7.43663 5.69634 numMergedOcc 0
23 mol 234 unq 2 iso 0 dist 9.25517 7.35086 3.64991 9.51353 7.22019 6.81195 numMergedOcc 0
24 mol 234 unq 3 iso 0 dist 7.22019 6.81195 3.64991 9.51353 9.25517 7.35086 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.90076 8.71877 13.8952 12.6844 6.87131 13.5433 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 8.90076 8.71877 13.8952 10.9258 8.09718 12.5272 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 6.62002 8.71877 12.856 12.6844 9.69818 13.5433 numMergedOcc 0
28 mol 238 unq 3 iso 0 dist 6.62002 8.71877 12.856 10.9258 6.73446 12.5272 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.08764 5.50017 7.18773 7.98994 9.01462 9.99181 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 9.01462 9.99181 7.18773 7.98994 8.08764 5.50017 numMergedOcc 0
31 mol 250 unq 0 iso 0 dist 5.97993 8.73744 4.14699 4.81479 6.44252 6.61917 numMergedOcc 0
32 mol 250 unq 1 iso 0 dist 6.44252 6.61917 4.14699 4.81479 5.97993 8.73744 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 7.34094 8.56867 13.0664 6.20393 5.91213 13.8949 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 7.34094 6.29872 10.4666 6.20393 5.91213 11.756 numMergedOcc 0
