0 mol 5 unq 0 iso 0 dist 5.16484 7.47183 4.07788 9.60545 11.6519 10.0149 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 8.71029 9.37125 13.6102 9.87175 16.2248 4.63184 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.2932 7.54869 10.7219 7.72019 2.97898 11.6538 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 5.2932 6.29729 6.76462 7.72019 2.97898 7.15034 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 5.44357 9.20372 5.6098 8.78851 5.57327 10.5124 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 5.44357 6.65519 5.59449 8.78851 5.57327 3.84862 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.4957 5.44721 11.4104 9.86726 3.60313 12.0859 numMergedOcc 0
7 mol 142 unq 0 iso 0 dist 8.63549 6.90378 7.17402 9.53873 9.28018 4.05822 numMergedOcc 0
8 mol 142 unq 1 iso 0 dist 8.63549 7.01955 7.01127 9.53873 9.28018 4.7832 numMergedOcc 0
9 mol 196 unq 0 iso 0 dist 6.76322 9.99721 12.7226 5.71508 3.56238 12.1426 numMergedOcc 0
10 mol 196 unq 1 iso 0 dist 6.76322 8.95053 8.46009 5.71508 3.56238 7.02978 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 6.67414 9.76857 5.68577 8.55981 9.08651 14.0085 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 9.77554 9.58629 10.0634 9.91986 8.98418 9.30565 numMergedOcc 0
13 mol 232 unq 1 iso 0 dist 7.02122 9.58629 4.86949 9.91986 5.97529 9.30565 numMergedOcc 0
14 mol 264 unq 0 iso 0 dist 9.74952 5.99069 11.2529 9.22548 11.7067 11.147 numMergedOcc 0
15 mol 264 unq 1 iso 0 dist 9.74952 5.99069 11.2529 7.95116 8.75534 10.0018 numMergedOcc 0
16 mol 264 unq 2 iso 0 dist 9.07879 5.99069 3.93713 9.22548 12.0694 11.147 numMergedOcc 0
17 mol 264 unq 3 iso 0 dist 9.07879 5.99069 3.93713 7.95116 10.6091 10.0018 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 5.54546 8.99319 6.32603 8.22327 3.81283 8.90741 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 5.57053 9.25455 4.16039 6.5191 5.00843 8.33646 numMergedOcc 0
