0 mol 9 unq 0 iso 0 dist 9.93613 9.03359 8.04924 12.0088 7.05919 3.91075 13.0231 3.98483 8.47421 5.8245 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.69215 11.6013 9.36424 9.96454 9.58596 5.31195 14.0782 14.0576 11.098 6.24711 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.74389 10.492 8.80104 4.62009 8.05514 11.8533 11.5623 8.53692 13.3081 9.8703 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 5.74389 10.492 8.80104 4.62009 8.05514 11.8533 11.2365 15.0902 18.8135 7.39665 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 9.43699 10.1834 4.79413 8.38339 6.3567 5.38404 11.1604 4.79817 8.96501 7.93281 numMergedOcc 0
5 mol 74 unq 1 iso 0 dist 5.23115 3.94075 4.79413 8.14688 6.3567 5.38404 9.99155 4.79817 8.96501 7.93281 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.42713 12.5605 7.85041 12.9872 5.71763 9.18194 10.9618 9.57225 16.0334 9.22631 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.21032 10.878 7.85041 5.17052 5.71763 9.18194 13.0776 9.57225 16.0334 9.22631 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 6.62468 6.53156 6.82089 8.17131 8.24966 4.02212 9.72083 4.28797 7.66168 9.98797 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 6.62468 4.72188 5.38314 8.17131 8.24966 5.46642 9.72083 4.28797 9.12581 9.98797 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 9.2042 12.9483 7.53158 5.18463 9.82982 12.9875 6.23399 6.55507 13.3616 8.33439 numMergedOcc 0
11 mol 154 unq 1 iso 0 dist 9.2042 9.90775 7.43407 5.18463 9.82982 11.8727 6.23399 6.55507 11.2797 8.33439 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 8.28454 8.59036 7.29542 11.1052 9.87668 13.317 17.4302 16.6392 17.6316 8.1945 numMergedOcc 0
13 mol 225 unq 1 iso 0 dist 8.28454 8.59036 7.29542 11.1052 9.87668 13.317 10.689 4.76151 10.7328 6.50998 numMergedOcc 0
14 mol 225 unq 2 iso 0 dist 8.28454 8.59036 7.29542 3.60045 8.42121 10.43 10.689 4.76151 10.7328 9.09424 numMergedOcc 0
15 mol 225 unq 3 iso 0 dist 8.28454 8.59036 7.29542 10.6169 4.98402 10.7885 10.689 4.76151 10.7328 8.14831 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 5.22349 7.31906 6.57207 10.7358 9.39658 9.43777 16.9581 13.9054 14.7097 7.15764 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 8.28871 9.63193 9.42738 3.63202 7.14086 9.04569 7.36905 4.48907 12.3016 5.90924 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 8.28871 9.63193 9.42738 3.63202 7.14086 9.04569 9.43335 9.09085 12.2802 5.90058 numMergedOcc 0
19 mol 264 unq 2 iso 0 dist 8.28871 9.63193 9.42738 3.63202 7.14086 9.04569 6.83408 10.1591 14.5867 9.58916 numMergedOcc 0
20 mol 264 unq 3 iso 0 dist 7.94668 12.2052 9.42738 13.3131 7.14086 9.04569 11.1873 4.48907 12.3016 5.90924 numMergedOcc 0
21 mol 264 unq 4 iso 0 dist 7.94668 12.2052 9.42738 13.3131 7.14086 9.04569 16.8768 9.09085 12.2802 5.90058 numMergedOcc 0
22 mol 264 unq 5 iso 0 dist 7.94668 12.2052 9.42738 13.3131 7.14086 9.04569 10.6712 10.1591 14.5867 9.58916 numMergedOcc 0
