0 mol 59 unq 0 iso 0 dist 7.40411 8.59468 9.78639 11.5553 7.71095 14.024 8.26644 6.73347 14.99 9.64444 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 7.40411 8.59468 9.78639 6.31307 8.84665 14.4432 8.26644 6.73347 14.99 4.36133 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 7.40411 8.59468 9.78639 5.76625 8.25513 12.6593 8.26644 6.73347 14.99 6.66692 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 7.60252 9.09488 4.03844 7.54416 8.8178 12.4827 9.17208 9.27838 6.91169 15.434 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 7.60252 9.09488 4.03844 9.89539 9.96708 12.111 9.17208 9.27838 6.91169 11.6378 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.79958 6.05967 5.31547 8.55171 9.33898 10.9241 16.7596 8.91313 12.273 17.5889 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.79958 6.05967 5.31547 8.55171 9.33898 10.9241 10.5288 8.16392 10.9647 10.8304 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 8.79958 6.05967 5.31547 8.36426 9.64443 9.36001 16.7596 8.91313 12.273 13.3881 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 8.79958 6.05967 5.31547 8.36426 9.64443 9.36001 10.5288 8.16392 10.9647 5.90097 numMergedOcc 0
9 mol 92 unq 4 iso 0 dist 8.79958 8.30892 4.3481 8.55171 9.33898 7.06939 16.7596 8.91313 12.7637 17.5889 numMergedOcc 0
10 mol 92 unq 5 iso 0 dist 8.79958 8.30892 4.3481 8.55171 9.33898 7.06939 10.5288 8.16392 11.1106 10.8304 numMergedOcc 0
11 mol 92 unq 6 iso 0 dist 8.79958 8.30892 4.3481 8.36426 9.64443 12.4681 16.7596 8.91313 12.7637 13.3881 numMergedOcc 0
12 mol 92 unq 7 iso 0 dist 8.79958 8.30892 4.3481 8.36426 9.64443 12.4681 10.5288 8.16392 11.1106 5.90097 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 6.12086 9.13688 5.06946 13.7041 9.03572 11.97 6.50009 9.49454 12.4483 13.3662 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 6.12086 9.13688 5.06946 11.3093 8.83255 13.5721 6.50009 9.49454 12.4483 12.0666 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 6.12086 9.13688 5.06946 4.98369 8.03644 9.74607 6.50009 9.49454 12.4483 11.4333 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 5.8729 7.47769 5.00433 9.80725 8.69985 8.52024 12.6824 7.80523 7.56755 7.74599 numMergedOcc 0
17 mol 122 unq 0 iso 0 dist 5.94669 7.77481 6.9791 5.89212 8.37808 11.6822 4.7859 9.23819 12.291 7.39059 numMergedOcc 0
18 mol 122 unq 1 iso 0 dist 5.94669 7.77481 6.9791 5.89212 8.37808 11.6822 6.71742 8.88537 13.8731 5.0355 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 5.44721 8.26759 13.0405 5.0869 6.29155 8.77023 5.63869 6.16242 8.83732 4.54648 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 9.92736 7.91599 4.88992 14.6185 9.31746 13.5224 11.2491 6.73956 8.62102 7.68794 numMergedOcc 0
21 mol 182 unq 1 iso 0 dist 9.92736 7.91599 4.88992 14.6185 9.31746 13.5224 15.7347 7.09394 10.0627 9.37404 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 6.52115 7.60847 4.15084 12.4148 7.37839 9.97669 6.67463 7.79066 9.60504 9.0443 numMergedOcc 0
23 mol 231 unq 1 iso 0 dist 6.52115 7.60847 4.15084 14.0894 8.40182 11.4076 6.67463 7.79066 9.60504 12.1512 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.07855 5.51962 8.81358 15.5856 7.46176 14.6185 11.8656 7.08526 14.2068 8.81835 numMergedOcc 0
