0 mol 7 unq 0 iso 0 dist 9.32945 6.22805 4.57188 17.302 9.85726 11.0773 15.7555 10.4879 10.5485 7.32392 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 7.66311 8.91266 7.00835 4.15151 8.39221 6.38364 8.88058 6.09608 5.49061 6.89209 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 6.06561 8.67719 5.46498 11.7065 9.57729 5.46269 6.84569 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 5.43401 7.48277 9.76734 7.49575 9.10229 12.0341 11.8703 12.6508 9.38186 9.84673 numMergedOcc 0
4 mol 102 unq 1 iso 0 dist 5.43401 9.0361 8.17186 7.49575 9.10229 7.36792 11.8703 12.6508 5.09542 9.84673 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 4.681 6.43406 9.11469 11.7878 6.31839 7.40358 9.18245 numMergedOcc 0
6 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 13.3929 9.67457 6.18308 20.8016 17.7409 12.9212 8.71409 numMergedOcc 0
7 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 12.3088 9.67457 6.18308 18.654 17.7409 12.9212 8.71409 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 18.4903 13.9782 14.1073 9.73411 numMergedOcc 0
9 mol 224 unq 1 iso 0 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 14.1813 14.788 11.8217 7.07564 numMergedOcc 0
10 mol 231 unq 0 iso 0 dist 7.28719 9.98232 5.3251 10.9863 7.79865 7.37839 18.4635 14.3729 10.613 8.91036 numMergedOcc 0
11 mol 258 unq 0 iso 0 dist 7.70189 9.67877 10.4667 9.78068 8.58088 17.2071 11.8229 7.42035 17.0253 8.9706 numMergedOcc 0
12 mol 258 unq 1 iso 0 dist 7.70189 8.81059 9.22664 9.78068 8.58088 6.42289 11.8229 7.42035 6.50871 8.9706 numMergedOcc 0
13 mol 258 unq 2 iso 0 dist 7.70189 9.12006 13.0489 9.78068 8.58088 10.1675 11.8229 7.42035 11.4042 8.9706 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 9.56472 7.54805 15.4199 15.3912 9.72927 18.8774 11.4757 4.3101 17.8323 8.57445 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 6.11218 7.80446 9.10818 6.08059 5.44831 5.55557 8.30175 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 7.21004 6.21831 4.97216 6.11218 9.91395 9.10818 6.08059 9.91966 5.55557 8.30175 numMergedOcc 0
17 mol 274 unq 2 iso 0 dist 6.12202 9.81087 7.96313 7.23876 9.02749 12.8531 8.04439 4.84163 10.9553 6.36173 numMergedOcc 0
18 mol 274 unq 3 iso 0 dist 6.44266 9.79674 9.61244 6.98398 7.80446 15.2761 10.2998 5.44831 12.6683 8.30175 numMergedOcc 0
19 mol 274 unq 4 iso 0 dist 6.44266 8.3291 6.57235 6.98398 7.80446 9.10818 10.2998 5.44831 5.55557 8.30175 numMergedOcc 0
20 mol 274 unq 5 iso 0 dist 8.75703 9.79674 10.7877 6.98398 9.91395 15.2761 10.2998 9.91966 12.6683 8.30175 numMergedOcc 0
21 mol 274 unq 6 iso 0 dist 8.75703 8.3291 4.97216 6.98398 9.91395 9.10818 10.2998 9.91966 5.55557 8.30175 numMergedOcc 0
