0 mol 20 unq 0 iso 0 dist 9.11216 8.39877 7.09217 13.1494 9.6259 7.45976 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.29578 12.9422 8.67928 5.86076 6.29237 10.5097 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.29578 12.9422 8.67928 8.72513 9.24286 12.7656 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.59782 16.6179 9.72919 14.3385 8.73798 2.81599 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 5.74948 10.6538 9.72919 8.31422 8.73798 2.81599 numMergedOcc 0
5 mol 55 unq 2 iso 0 dist 7.1654 6.08547 9.72919 3.6395 8.73798 2.81599 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 9.61137 12.8466 6.39879 8.57407 9.08333 11.342 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.45083 10.3417 9.44289 10.1586 5.97918 10.6223 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 5.6738 4.81689 5.9758 7.16792 6.41507 5.42524 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 5.6738 4.81689 5.9758 7.6316 6.03035 8.74879 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.99965 6.49544 7.81069 6.7954 7.54492 4.03697 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 5.97267 10.6805 8.43104 5.94706 9.44911 9.58338 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 5.97267 8.06716 9.13452 5.94706 9.44911 10.1131 numMergedOcc 0
13 mol 197 unq 2 iso 0 dist 8.80739 12.657 8.43104 13.712 9.44911 9.58338 numMergedOcc 0
14 mol 197 unq 3 iso 0 dist 8.80739 6.07107 9.13452 13.712 9.44911 10.1131 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 9.46077 11.861 7.93342 7.46055 6.23614 5.8463 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 8.65437 12.4633 7.93342 7.03597 6.23614 5.8463 numMergedOcc 0
17 mol 240 unq 0 iso 0 dist 9.70938 12.646 9.72504 3.63494 7.39852 12.7239 numMergedOcc 0
18 mol 247 unq 0 iso 0 dist 9.90771 6.0908 7.21548 9.53019 6.93227 5.2718 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 8.93788 4.82331 9.60449 12.6556 9.0654 13.146 numMergedOcc 0
