0 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 10.6491 6.92781 6.31718 16.2171 12.5273 10.8455 7.63133 12.0005 7.03948 6.2983 5.47769 5.94084 15.8595 10.7015 10.9143 5.32694 5.46498 6.58035 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 10.6491 6.92781 6.31718 16.2171 12.5273 10.8455 7.63133 12.0005 7.03948 6.2983 5.47769 5.94084 21.0104 16.241 16.4009 10.4155 8.71745 12.1189 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 14.9301 10.3915 8.4674 14.1708 11.0366 5.80928 4.51865 11.167 10.2708 5.14627 6.20943 4.69858 10.1953 5.03957 4.54938 7.67038 6.864 7.82528 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.84393 9.01721 7.82074 10.1953 5.03957 4.54938 14.1708 11.0366 5.80928 6.864 17.4635 12.6444 10.9543 8.78293 11.4401 14.9301 10.3915 8.4674 7.67038 4.51865 13.4721 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 7.84393 9.01721 7.82074 10.1953 5.03957 4.54938 14.1708 11.0366 5.80928 6.864 6.31174 8.73972 6.55187 8.23643 12.3093 14.9301 10.3915 8.4674 7.67038 4.51865 14.6255 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 7.84393 9.01721 7.82074 10.1953 5.03957 4.54938 14.1708 11.0366 5.80928 6.864 11.167 10.2708 5.14627 7.82528 4.69858 14.9301 10.3915 8.4674 7.67038 4.51865 6.20943 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 8.18518 14.1404 8.4674 12.9091 5.80928 4.51865 6.57145 4.54938 7.67038 6.864 10.7817 9.58539 6.74265 8.58657 5.5841 10.7917 7.34551 10.4091 7.07775 7.20519 9.80108 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 9.8682 6.9948 7.97049 3.85308 7.66905 5.42586 6.19965 13.0379 7.22293 7.98917 9.47876 11.6116 11.7729 10.7229 11.3023 4.26409 7.95579 13.6587 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 10.0165 5.33144 7.47343 7.225 10.1409 8.8807 6.65086 16.4991 11.8016 15.209 7.75343 10.9608 12.3809 7.1752 12.0662 5.88134 9.60661 6.58204 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.57498 6.89762 6.45675 10.0165 5.33144 7.47343 14.3348 11.8665 12.6515 6.56369 16.4991 11.8016 15.209 7.75343 5.69137 12.3809 7.1752 12.0662 5.88134 9.35224 6.58204 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 12.7842 10.8507 5.83991 9.97256 13.8473 7.69052 9.33865 17.9607 17.6696 10.9739 7.76729 10.7942 9.56867 11.5723 7.88312 8.02349 6.11741 12.9821 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 7.44784 7.64822 7.30858 9.56867 11.5723 7.88312 9.97256 13.8473 7.69052 6.11741 7.97477 11.695 11.7126 6.99777 10.8292 12.7842 10.8507 5.83991 8.02349 9.33865 13.9977 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 7.44784 7.64822 7.30858 9.56867 11.5723 7.88312 9.97256 13.8473 7.69052 6.11741 6.58038 10.0603 4.62962 9.14376 6.12943 12.7842 10.8507 5.83991 8.02349 9.33865 9.65429 numMergedOcc 0
13 mol 115 unq 3 iso 0 dist 9.56867 9.97256 6.11741 12.7842 8.02349 9.33865 7.64822 7.88312 7.69052 5.83991 17.9607 12.9821 10.7942 7.76729 10.9739 7.44784 11.5723 13.8473 10.8507 7.30858 17.6696 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 7.97208 5.00817 6.49416 12.5576 9.5126 5.00526 6.54501 6.30187 5.42582 5.41704 8.6355 10.1448 11.8406 7.11631 9.93925 5.79898 9.89303 12.0514 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 10.738 5.49782 9.86662 9.52819 6.37586 6.81259 8.94367 6.30187 5.42582 6.17103 8.79571 5.41704 7.97208 5.00817 12.5075 8.80819 6.49416 8.6355 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 7.97208 9.52819 6.49416 10.738 8.80819 8.94367 12.4156 12.5075 6.81259 9.86662 6.30187 8.6355 5.41704 8.79571 6.17103 5.67862 5.00817 6.37586 5.49782 9.71307 5.42582 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 5.67862 5.00817 6.37586 12.4156 12.5075 6.81259 9.71307 6.30187 8.6355 5.41704 5.42582 6.17103 10.738 8.80819 8.94367 5.49782 9.86662 8.79571 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 6.73365 12.753 9.92231 12.3723 6.2715 7.652 5.73338 5.6234 7.42466 9.0018 16.6698 12.816 5.0384 9.31887 11.0415 9.45659 5.35493 10.2623 8.16421 6.57069 11.3137 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 9.45659 5.73338 6.57069 12.3723 8.16421 9.0018 12.753 10.2623 7.42466 7.652 16.6698 11.3137 11.0415 9.31887 5.0384 6.73365 5.35493 5.6234 6.2715 9.92231 12.816 numMergedOcc 0
20 mol 175 unq 2 iso 0 dist 9.45659 5.73338 6.57069 6.73365 5.35493 5.6234 12.753 10.2623 7.42466 9.92231 7.92448 11.5506 5.28109 9.0664 7.14477 12.3723 8.16421 9.0018 6.2715 7.652 10.689 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 11.44 10.1912 5.98885 18.2553 15.0228 8.88798 9.1374 14.3497 14.4632 5.86342 6.94688 6.25083 18.6959 12.8522 10.7062 13.2049 8.03334 12.1309 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.07833 9.54619 9.09537 11.44 10.1912 5.98885 18.2553 15.0228 8.88798 9.1374 17.3924 15.4777 9.14057 6.71012 4.77278 18.6959 12.8522 10.7062 13.2049 8.03334 12.2058 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 9.04374 4.70378 6.57273 12.5358 9.99123 5.0744 6.60589 7.32238 6.67585 5.29877 6.65984 6.12232 14.7665 10.9861 10.103 6.77699 6.65832 11.0097 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 4.79841 11.4653 8.95269 9.04374 4.70378 6.57273 12.5358 9.99123 5.0744 6.60589 7.32238 6.67585 5.29877 6.65984 6.12232 15.1903 11.5372 5.78342 8.49799 9.16166 10.667 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 7.25658 5.38198 6.65832 10.8312 6.77699 6.60589 9.17439 10.103 5.0744 6.57273 11.4373 11.0097 6.12232 6.65984 5.29877 14.9459 10.9861 9.99123 4.70378 8.95269 6.67585 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 7.25658 5.38198 6.65832 10.8312 6.77699 6.60589 9.17439 10.103 5.0744 6.57273 11.4373 11.0097 6.12232 6.65984 5.29877 11.1589 11.328 9.16166 8.49799 5.78342 10.667 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 9.97357 7.28249 8.03456 16.5918 11.2141 14.2337 8.35971 11.4732 5.34718 11.8759 7.17676 6.40312 16.6071 12.8967 15.1853 7.43758 8.04248 10.6445 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 6.36941 8.3919 9.81562 9.97357 7.28249 8.03456 16.5918 11.2141 14.2337 8.35971 14.1057 10.5713 9.07822 6.68463 6.2568 16.6071 12.8967 15.1853 7.43758 8.04248 10.5433 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 6.36941 4.88785 7.68742 9.97357 7.28249 6.84306 16.5918 11.2141 14.7998 8.35971 11.4732 5.34718 11.3552 7.17676 6.40312 16.6071 12.8967 13.5269 7.43758 8.04248 10.6445 numMergedOcc 0
30 mol 236 unq 3 iso 0 dist 6.36941 4.88785 7.68742 9.97357 7.28249 6.84306 16.5918 11.2141 14.7998 8.35971 14.1057 10.5713 11.6837 6.68463 6.2568 16.6071 12.8967 13.5269 7.43758 8.04248 10.5433 numMergedOcc 0
31 mol 236 unq 4 iso 0 dist 6.36941 10.2557 6.27581 9.97357 7.28249 9.99038 16.5918 11.2141 10.7497 8.35971 11.4732 5.34718 6.04825 7.17676 6.40312 16.6071 12.8967 15.7308 7.43758 8.04248 10.6445 numMergedOcc 0
32 mol 236 unq 5 iso 0 dist 6.36941 10.2557 6.27581 9.97357 7.28249 9.99038 16.5918 11.2141 10.7497 8.35971 14.1057 10.5713 8.8265 6.68463 6.2568 16.6071 12.8967 15.7308 7.43758 8.04248 10.5433 numMergedOcc 0
