0 mol 25 unq 0 iso 0 dist 9.01548 7.45383 12.6805 4.70708 6.63839 10.7875 6.6492 9.12941 11.7817 8.5404 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 6.95572 7.38677 6.36037 6.99832 5.39745 10.8154 12.3604 12.1199 15.5524 9.28578 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 9.22232 9.22661 18.2432 12.0863 8.21165 20.7518 16.5366 9.78763 25.175 8.07135 numMergedOcc 0
3 mol 133 unq 1 iso 0 dist 9.22232 7.56378 15.4484 12.0863 8.21165 17.6003 16.5366 9.78763 23.4795 8.07135 numMergedOcc 0
4 mol 133 unq 2 iso 0 dist 9.22661 9.22232 18.2432 4.68409 6.51868 12.3267 12.2715 4.35684 20.9348 9.4062 numMergedOcc 0
5 mol 133 unq 3 iso 0 dist 9.22661 7.56378 7.33253 4.68409 6.51868 7.34698 12.2715 4.35684 11.668 9.4062 numMergedOcc 0
6 mol 133 unq 4 iso 0 dist 7.56378 9.22232 15.4484 4.68409 7.34698 12.3267 12.2715 11.668 20.9348 9.4062 numMergedOcc 0
7 mol 133 unq 5 iso 0 dist 7.56378 9.22661 7.33253 4.68409 7.34698 6.51868 12.2715 11.668 4.35684 9.4062 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 7.78652 8.91301 4.30566 6.01455 6.46089 10.1154 7.63338 11.5146 13.434 8.1582 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 7.78652 8.91301 4.30566 6.01455 6.46089 10.1154 7.25673 6.60479 7.54337 7.88655 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 9.91993 6.22055 4.32771 10.2478 8.73468 9.73927 9.74542 7.23332 7.89336 8.12589 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 9.99156 8.18085 4.32771 6.84291 8.73468 9.73927 11.214 7.23332 7.89336 8.12589 numMergedOcc 0
12 mol 148 unq 2 iso 0 dist 6.22055 9.91993 4.32771 10.2478 9.73927 8.73468 9.74542 7.89336 7.23332 8.12589 numMergedOcc 0
13 mol 148 unq 3 iso 0 dist 8.18085 9.99156 4.32771 6.84291 9.73927 8.73468 11.214 7.89336 7.23332 8.12589 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 9.96691 6.14675 4.39943 10.2318 8.73558 9.66129 9.6606 7.35366 7.86976 8.11592 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 9.96691 9.24244 5.93611 10.2318 8.73558 12.6576 9.6606 7.35366 11.8012 8.11592 numMergedOcc 0
16 mol 150 unq 2 iso 0 dist 9.8656 7.94889 4.39943 6.79619 8.73558 9.66129 11.0682 7.35366 7.86976 8.11592 numMergedOcc 0
17 mol 150 unq 3 iso 0 dist 6.14675 9.96691 4.39943 10.2318 9.66129 8.73558 9.6606 7.86976 7.35366 8.11592 numMergedOcc 0
18 mol 150 unq 4 iso 0 dist 6.14675 9.24244 4.30207 10.2318 9.66129 12.6576 9.6606 7.86976 11.8012 8.11592 numMergedOcc 0
19 mol 150 unq 5 iso 0 dist 7.94889 9.8656 4.39943 6.79619 9.66129 8.73558 11.0682 7.86976 7.35366 8.11592 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 7.30357 8.61587 6.12113 5.07967 7.30946 11.3161 7.73169 8.40261 12.8796 7.04913 numMergedOcc 0
21 mol 159 unq 0 iso 0 dist 8.4858 9.17787 7.73341 4.57561 5.9032 10.4588 7.25742 7.97232 10.3427 7.13269 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.59025 6.46704 9.87773 7.07409 6.32777 11.5642 15.2991 11.1881 17.0176 9.52987 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 5.9176 6.41453 9.53592 9.60512 5.97685 13.5221 11.6558 6.12563 15.5119 5.49808 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 5.9176 6.41453 9.53592 13.3389 8.9289 14.5372 11.6558 6.12563 15.5119 7.96291 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 8.10214 7.14503 9.01338 12.0548 9.33696 11.4648 8.57261 5.87427 5.0782 7.48284 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 6.72379 8.29382 6.7294 5.38925 9.3402 13.132 8.83356 7.50057 12.361 9.77862 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 5.41321 7.43071 11.362 6.43754 7.57454 12.2922 8.03442 4.59123 12.8075 7.1372 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 7.57812 8.69104 6.25098 13.0842 6.87131 9.69818 6.66971 4.77308 10.2777 9.42618 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 8.69104 7.57812 6.25098 13.0842 9.69818 6.87131 6.66971 10.2777 4.77308 9.42618 numMergedOcc 0
