0 mol 12 unq 0 iso 0 dist 4.85969 8.3933 4.60834 4.46781 7.8865 9.75368 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.12062 4.97286 5.70643 7.16404 7.10899 7.78892 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.46901 9.37127 4.5746 6.124 9.77553 9.86627 numMergedOcc 0
3 mol 134 unq 0 iso 0 dist 8.49649 8.11189 9.69206 11.9678 9.60369 14.102 numMergedOcc 0
4 mol 134 unq 1 iso 0 dist 8.49649 8.11189 9.69206 13.0109 9.55556 17.0494 numMergedOcc 0
5 mol 171 unq 0 iso 0 dist 9.53702 8.31358 4.78402 6.71379 6.07091 7.73971 numMergedOcc 0
6 mol 173 unq 0 iso 0 dist 6.46871 7.76428 5.07225 7.11247 8.1088 9.80037 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 8.85187 7.3134 13.4373 9.90397 8.06326 16.9946 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 6.22466 5.82681 7.99002 8.63909 8.96988 14.0863 numMergedOcc 0
9 mol 229 unq 0 iso 0 dist 4.38586 7.06416 3.99138 6.81165 8.6537 12.0016 numMergedOcc 0
10 mol 229 unq 1 iso 0 dist 4.38586 7.06416 3.99138 5.33253 8.75374 12.1944 numMergedOcc 0
11 mol 229 unq 2 iso 0 dist 4.38586 7.06416 3.99138 5.23042 7.10634 9.40032 numMergedOcc 0
12 mol 229 unq 3 iso 0 dist 4.38586 7.06416 3.99138 6.21905 5.57702 9.49008 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 5.65943 6.99317 4.99837 5.28657 7.46434 9.61965 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 6.79115 8.74211 4.93347 8.93012 9.89665 6.61371 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 6.79115 8.74211 4.93347 10.5925 9.05929 12.4813 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 5.66945 9.89398 8.94039 5.3674 8.40773 14.8408 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 7.5977 8.7632 6.55241 5.43925 6.36911 11.1267 numMergedOcc 0
18 mol 257 unq 1 iso 0 dist 7.5977 8.7632 6.55241 10.056 7.82899 12.8898 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 8.07113 7.43425 5.96176 4.63237 8.65236 10.0402 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 8.07113 7.43425 5.96176 6.39263 9.73983 7.00833 numMergedOcc 0
21 mol 271 unq 0 iso 0 dist 9.27556 9.22385 9.86334 6.00331 9.56149 12.8625 numMergedOcc 0
22 mol 271 unq 1 iso 0 dist 9.27556 6.56531 5.60228 6.00331 9.56149 9.42899 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 8.99187 9.89794 11.7378 7.70638 9.64124 14.2201 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 8.99187 9.89794 11.7378 5.67679 9.30668 14.955 numMergedOcc 0
