0 mol 48 unq 0 iso 0 dist 5.60663 7.49794 6.34854 4.09894 8.58829 7.08628 13.819 12.8942 8.14245 12.2601 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 5.60663 7.49794 6.34854 4.09894 8.58829 7.08628 11.8742 8.56365 6.36817 12.2529 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 5.60663 7.49794 6.34854 4.09894 8.58829 7.08628 5.44298 7.47783 8.0812 5.98272 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 5.60663 7.49794 6.34854 4.09894 8.58829 7.08628 9.10301 8.74151 4.17933 7.83821 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 5.60663 7.49794 6.34854 4.09894 8.58829 7.08628 7.24268 8.69662 5.54893 5.51708 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.22889 7.75543 6.0298 6.26867 5.9249 8.58021 6.51961 9.44983 4.15789 9.64347 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 9.22889 7.75543 6.0298 6.26867 5.9249 8.58021 4.08459 5.79139 4.808 4.39784 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 6.64915 4.2253 4.31939 5.79235 5.9249 5.82384 8.65653 5.79139 6.20144 4.39784 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 12.8729 6.05495 5.61151 6.90443 8.04853 6.67137 10.803 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.18097 7.51319 5.22259 12.8729 6.05495 5.61151 17.0873 11.3824 9.78707 5.49707 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 10.1386 15.5788 9.09711 15.6048 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 13.1772 15.4163 7.91193 13.4097 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 6.90443 8.04853 7.04244 10.803 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 13.5026 14.0171 7.07839 11.6623 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 17.0873 11.3824 9.63449 5.49707 numMergedOcc 0
15 mol 85 unq 7 iso 0 dist 8.83135 9.43839 5.22259 3.97167 6.05495 5.61151 14.6513 8.04853 6.67137 10.803 numMergedOcc 0
16 mol 85 unq 8 iso 0 dist 8.83135 9.43839 5.22259 3.97167 6.05495 5.61151 4.43737 11.3824 9.78707 5.49707 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 8.09776 7.56217 12.7379 8.91682 9.3402 12.7281 11.7008 17.7356 5.10542 17.114 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 8.09776 9.81055 15.4151 8.91682 9.3402 13.0738 11.7008 17.7356 4.68722 17.114 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 8.09776 9.81055 15.4151 8.91682 9.3402 13.0738 14.7138 19.4115 5.18325 17.4318 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 9.23676 8.77524 3.85186 5.64245 7.10526 4.51124 10.6524 11.8881 8.32259 6.68247 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 9.23676 8.77524 3.85186 5.64245 7.10526 4.51124 9.88337 13.0568 9.93489 7.51762 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 15.6651 9.58354 15.0416 8.8893 9.73723 8.66299 15.2949 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 9.50983 9.31626 5.68255 14.0411 9.58354 15.0416 13.3075 9.73723 8.66299 15.2949 numMergedOcc 0
24 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 6.69832 8.94909 6.59989 11.4342 11.5842 7.85841 4.84855 numMergedOcc 0
25 mol 254 unq 1 iso 0 dist 7.28781 9.84028 11.9238 6.69832 8.94909 6.59989 11.2466 9.50951 9.20109 5.67608 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 9.65136 6.33954 5.59732 5.34142 7.48269 5.85613 6.51471 4.36333 5.58222 3.89364 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 6.77259 7.36137 4.60397 5.18289 9.71152 11.9661 12.2408 11.5353 7.8598 16.5968 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 6.77259 7.36137 4.60397 5.18289 9.71152 11.9661 13.1028 11.7606 8.25286 18.0382 numMergedOcc 0
29 mol 266 unq 2 iso 0 dist 6.77259 4.95415 5.26919 5.18289 9.71152 9.73748 12.2408 11.5353 7.80711 16.5968 numMergedOcc 0
30 mol 266 unq 3 iso 0 dist 6.77259 4.95415 5.26919 5.18289 9.71152 9.73748 13.1028 11.7606 9.9965 18.0382 numMergedOcc 0
31 mol 284 unq 0 iso 0 dist 4.87349 8.2236 9.94624 5.83318 6.61376 12.6969 8.4652 9.75958 5.6964 10.1727 numMergedOcc 0
