0 mol 11 unq 0 iso 0 dist 9.78754 5.71129 6.35398 10.2507 10.9655 6.79478 8.75299 11.1053 9.67404 9.36555 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.18898 4.52119 6.95572 5.74364 9.52463 4.98104 4.68995 6.15654 5.1767 8.67865 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 7.67331 4.52119 7.38677 5.74364 6.07224 4.98104 4.68995 7.89887 5.1767 8.67865 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 8.96382 8.14567 6.84011 15.8883 12.5697 8.42445 12.7928 11.4347 5.24877 5.31281 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.6561 10.0114 9.97654 17.2285 11.7748 9.48243 21.4186 17.5577 11.9436 7.96689 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.6561 10.0114 9.97654 17.2285 11.7748 9.48243 25.6047 20.6269 16.3678 9.6582 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 6.95568 4.11061 6.59025 4.96259 5.87168 6.00053 5.53632 10.2433 9.49952 8.78709 numMergedOcc 0
7 mol 197 unq 0 iso 0 dist 7.40027 5.29309 6.92924 10.2079 10.3181 8.64255 10.4275 14.5693 8.58314 8.51118 numMergedOcc 0
8 mol 197 unq 1 iso 0 dist 8.98598 4.57437 7.50013 7.56537 4.91904 8.64255 5.79567 9.87211 8.58314 8.51118 numMergedOcc 0
9 mol 197 unq 2 iso 0 dist 7.06689 4.57437 5.81233 7.56537 7.59634 8.64255 5.79567 6.3997 8.58314 8.51118 numMergedOcc 0
10 mol 197 unq 3 iso 0 dist 9.69601 4.57437 6.92924 7.56537 10.3181 8.64255 5.79567 14.5693 8.58314 8.51118 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 7.4513 8.0303 6.59716 10.0343 4.39102 9.8711 4.68697 7.46122 10.6943 7.86207 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 7.04477 5.47434 6.11704 8.10096 7.93097 9.5723 6.92911 12.0615 10.5706 7.20862 numMergedOcc 0
13 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 16.4542 10.4369 7.29898 21.5885 15.2599 12.5843 6.18866 numMergedOcc 0
14 mol 249 unq 1 iso 0 dist 6.58109 9.9244 5.48118 18.325 13.4788 8.91685 21.5885 15.2599 12.5843 9.3807 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.63176 8.27707 9.63959 9.4886 8.01004 6.09782 12.1075 14.7385 5.57797 8.57305 numMergedOcc 0
