0 mol 86 unq 0 iso 0 dist 9.34342 8.8236 5.9581 7.90563 12.5556 9.18511 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 9.28786 4.58684 6.19637 9.93705 14.6634 9.42123 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 9.28786 4.58684 6.19637 8.1075 8.81298 9.67406 numMergedOcc 0
3 mol 87 unq 2 iso 0 dist 9.28786 6.90348 11.3571 9.93705 14.6634 9.18848 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.0807 7.95587 10.0988 8.22734 14.7058 7.39043 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 4.84604 6.29879 5.35551 10.9634 9.09263 6.00667 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 4.84604 6.29879 5.35551 10.7165 12.5872 8.00919 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.91507 9.67331 10.6104 6.72436 14.316 7.76297 numMergedOcc 0
8 mol 165 unq 0 iso 0 dist 8.7717 9.24259 9.13937 6.54299 5.5411 9.73305 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 8.77267 9.92349 13.0906 14.752 18.3307 7.81237 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 8.77267 9.70779 4.56028 11.4045 10.1786 9.33769 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 8.77267 9.70779 4.56028 7.21475 5.34387 6.25503 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 6.93858 9.82101 9.19013 16.4938 17.9198 9.96919 numMergedOcc 0
13 mol 255 unq 0 iso 0 dist 5.17191 8.01663 6.41518 9.34243 11.5122 9.35269 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 4.49691 7.68243 5.94756 5.75427 9.07261 8.28805 numMergedOcc 0
