0 mol 67 unq 0 iso 0 dist 5.70192 4.31746 9.0008 9.65433 9.07653 9.77887 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 7.65646 7.58981 9.0008 14.4272 9.07653 9.77887 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.57958 12.656 5.39745 11.2639 5.06359 6.72712 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 7.50886 5.21101 9.83981 7.25217 5.74742 6.13559 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 7.50886 5.21101 9.83981 10.853 12.0339 6.51395 numMergedOcc 0
5 mol 114 unq 2 iso 0 dist 7.25217 5.21101 6.13559 7.50886 5.74742 9.83981 numMergedOcc 0
6 mol 114 unq 3 iso 0 dist 7.25217 5.21101 6.13559 10.853 7.50948 6.51395 numMergedOcc 0
7 mol 114 unq 4 iso 0 dist 6.96057 3.88006 6.51395 12.8915 12.0339 9.83981 numMergedOcc 0
8 mol 114 unq 5 iso 0 dist 6.96057 3.88006 6.51395 9.63389 7.50948 6.13559 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 9.43335 14.3207 6.46089 15.5681 6.54147 6.97487 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 9.9492 6.3462 6.46089 10.0323 6.54147 6.97487 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 7.62575 5.45915 7.55196 12.2882 7.63368 9.0529 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 8.91189 6.69743 5.9032 8.94941 7.97065 8.52082 numMergedOcc 0
13 mol 159 unq 1 iso 0 dist 8.94941 6.69743 8.52082 8.91189 7.97065 5.9032 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.45395 12.0718 9.06217 5.41368 5.3528 7.13252 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.15368 13.7282 9.06217 7.96182 5.3528 7.13252 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.20477 10.6331 9.06217 7.90237 5.3528 7.13252 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 5.41368 12.0718 7.13252 8.45395 5.3528 9.06217 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 7.96182 13.7282 7.13252 9.15368 5.3528 9.06217 numMergedOcc 0
19 mol 181 unq 5 iso 0 dist 7.90237 10.6331 7.13252 9.20477 5.3528 9.06217 numMergedOcc 0
20 mol 181 unq 6 iso 0 dist 9.70025 6.02828 8.9289 10.5869 6.46849 5.97685 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 9.554 12.3981 9.75763 12.2223 8.55247 7.0685 numMergedOcc 0
22 mol 184 unq 1 iso 0 dist 9.554 12.3981 9.75763 15.481 8.2466 6.44904 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 7.19662 10.383 9.25517 14.5897 9.51353 7.22019 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.96197 5.18265 6.87131 10.3764 12.6844 8.90076 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.96197 5.18265 6.87131 6.24435 5.38691 8.09718 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 7.96197 4.30687 9.69818 10.3764 12.6844 6.62002 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 7.96197 4.30687 9.69818 6.24435 5.38691 6.73446 numMergedOcc 0
28 mol 238 unq 4 iso 0 dist 6.24435 5.18265 8.09718 10.3764 10.9258 8.90076 numMergedOcc 0
29 mol 238 unq 5 iso 0 dist 6.24435 5.18265 8.09718 7.96197 5.38691 6.87131 numMergedOcc 0
30 mol 238 unq 6 iso 0 dist 6.24435 4.30687 6.73446 10.3764 10.9258 6.62002 numMergedOcc 0
31 mol 238 unq 7 iso 0 dist 6.24435 4.30687 6.73446 7.96197 5.38691 9.69818 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 5.18952 10.2859 8.08764 5.648 7.98994 9.01462 numMergedOcc 0
33 mol 239 unq 1 iso 0 dist 5.648 10.2859 9.01462 5.18952 7.98994 8.08764 numMergedOcc 0
34 mol 243 unq 0 iso 0 dist 7.77265 3.87679 7.12785 9.65322 8.07376 6.66959 numMergedOcc 0
35 mol 243 unq 1 iso 0 dist 9.65322 3.87679 6.66959 7.77265 8.07376 7.12785 numMergedOcc 0
36 mol 243 unq 2 iso 0 dist 6.9453 5.40441 6.66959 10.7436 8.07376 7.12785 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 8.44015 5.29885 5.91213 6.21206 6.20393 7.34094 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 6.21206 5.29885 7.34094 8.44015 6.20393 5.91213 numMergedOcc 0
