0 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 4.46394 5.96346 6.86684 10.8687 5.8961 10.2486 9.52695 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 15.9662 7.92503 6.11127 13.0464 5.59268 10.5993 7.05148 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 15.9662 7.92503 5.30154 13.0464 5.59268 8.88413 7.05148 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.20538 6.93876 8.66265 3.63144 7.16773 6.63327 10.2543 10.8619 15.2938 8.85981 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 12.7481 9.25641 13.5488 16.2005 8.42799 14.5113 6.94677 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 11.2266 8.8822 10.1816 16.285 16.3524 15.1632 9.66068 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 9.01097 9.66219 8.42718 9.64281 14.0364 10.783 5.37302 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 8.89481 4.36935 5.86073 9.01097 9.66219 8.42718 16.285 16.3524 15.1632 8.03783 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 8.89481 4.36935 5.86073 9.01097 9.66219 8.42718 13.9688 12.1308 11.0486 8.47541 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 6.38163 8.61575 9.61051 4.92611 7.58957 5.68211 10.5788 7.59962 13.8631 9.86988 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 6.38163 10.0961 5.83384 4.92611 7.58957 10.5488 10.5788 7.59962 12.5845 9.86988 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.3894 4.84607 6.5107 11.5759 6.66772 7.12976 16.5219 7.36833 13.1045 8.6561 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.3894 13.0836 9.52634 11.5759 6.66772 4.34568 16.5219 7.36833 10.3751 8.6561 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 9.50322 5.37072 7.11802 16.7326 9.22232 16.0138 18.09 12.7925 18.2779 6.16862 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 9.50322 5.37072 7.11802 16.7326 9.22232 16.0138 19.977 15.4258 20.1948 9.70325 numMergedOcc 0
15 mol 133 unq 4 iso 0 dist 9.50322 5.37072 7.11802 10.2948 9.22661 5.92062 7.12336 6.26797 5.86531 6.42904 numMergedOcc 0
16 mol 133 unq 5 iso 0 dist 9.50322 5.37072 7.11802 11.6924 7.56378 6.61891 14.4181 5.36939 10.8427 7.31633 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 12.979 7.67576 10.3151 10.9808 4.82768 10.8522 5.89818 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 9.55777 6.54251 8.01589 4.05539 9.82371 8.52017 10.9808 4.82768 10.8522 9.32543 numMergedOcc 0
19 mol 222 unq 2 iso 0 dist 9.55777 15.3892 7.7699 12.979 7.67576 7.81022 10.9808 4.82768 10.0664 5.89818 numMergedOcc 0
20 mol 222 unq 3 iso 0 dist 9.55777 15.3892 7.7699 4.05539 9.82371 15.7504 10.9808 4.82768 10.0664 9.32543 numMergedOcc 0
21 mol 222 unq 4 iso 0 dist 9.55777 16.4881 7.21333 12.979 7.67576 7.75656 10.9808 4.82768 7.85877 5.89818 numMergedOcc 0
22 mol 222 unq 5 iso 0 dist 9.55777 16.4881 7.21333 4.05539 9.82371 16.0949 10.9808 4.82768 7.85877 9.32543 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.37672 9.07501 7.57994 4.20164 5.48118 10.7772 6.40339 9.9244 15.0261 6.58109 numMergedOcc 0
24 mol 249 unq 1 iso 0 dist 6.37672 4.24014 6.18582 4.20164 5.48118 7.04666 6.40339 9.9244 10.454 6.58109 numMergedOcc 0
25 mol 249 unq 2 iso 0 dist 8.94023 9.53929 7.57994 5.93404 5.48118 10.7772 9.5348 9.9244 15.0261 6.58109 numMergedOcc 0
26 mol 249 unq 3 iso 0 dist 8.94023 5.36989 6.18582 5.93404 5.48118 7.04666 9.5348 9.9244 10.454 6.58109 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 8.43858 10.2215 9.361 4.29482 7.16853 11.1431 11.229 3.93713 13.1873 9.3201 numMergedOcc 0
28 mol 264 unq 1 iso 0 dist 8.43858 8.55312 6.24356 4.29482 7.16853 5.00209 11.229 3.93713 8.19504 9.3201 numMergedOcc 0
