0 mol 43 unq 0 iso 0 dist 5.87251 6.75521 6.11363 5.34976 5.19462 9.50614 numMergedOcc 0
1 mol 89 unq 0 iso 0 dist 9.04932 7.02228 9.44832 10.8883 16.4957 8.05579 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 8.74797 6.62354 4.71888 7.53887 13.3652 9.09348 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 6.12598 6.91978 5.69357 6.16219 5.42764 9.47049 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 9.17599 7.96353 14.49 6.67639 12.9653 8.14226 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 9.17599 7.96353 14.49 4.4987 13.2775 5.78982 numMergedOcc 0
6 mol 134 unq 2 iso 0 dist 8.78704 7.96353 9.10659 6.67639 13.0619 8.14226 numMergedOcc 0
7 mol 134 unq 3 iso 0 dist 8.78704 7.96353 9.10659 4.4987 11.2202 5.78982 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.54996 5.05627 12.017 6.83215 11.7388 7.92216 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 7.41627 8.13526 4.92048 4.94644 6.89441 6.69042 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 9.05137 7.59666 7.12863 5.10199 13.3874 9.26214 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 9.05137 6.51936 11.8793 5.10199 13.3874 5.00369 numMergedOcc 0
12 mol 204 unq 2 iso 0 dist 6.69026 7.59666 6.03168 5.10199 9.63166 9.26214 numMergedOcc 0
13 mol 204 unq 3 iso 0 dist 6.69026 6.51936 6.76479 5.10199 9.63166 5.00369 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.61758 6.28826 11.6354 10.996 18.1704 8.25329 numMergedOcc 0
15 mol 214 unq 1 iso 0 dist 8.61758 6.28826 11.6354 5.055 12.9113 4.85332 numMergedOcc 0
16 mol 214 unq 2 iso 0 dist 5.45548 6.28826 6.3054 10.996 13.9749 8.25329 numMergedOcc 0
17 mol 214 unq 3 iso 0 dist 5.45548 6.28826 6.3054 5.055 8.70011 4.85332 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 5.68392 6.0751 6.50689 6.49444 11.3925 9.01338 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 7.89041 5.9625 4.76073 4.51728 10.6494 8.93212 numMergedOcc 0
