REMARK Name = BDB028633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.455 -1.664 -2.590 0.00 0.00 +0.188 A ATOM 2 C LIG 1 1.253 -1.384 -1.447 0.00 0.00 +0.067 A ATOM 3 C LIG 1 1.950 -0.244 -1.816 0.00 0.00 +0.170 A ATOM 4 C LIG 1 2.853 0.436 -0.999 0.00 0.00 +0.058 A ATOM 5 C LIG 1 3.074 -0.099 0.282 0.00 0.00 +0.013 A ATOM 6 C LIG 1 2.394 -1.256 0.673 0.00 0.00 +0.129 A ATOM 7 F LIG 1 2.607 -1.758 1.898 0.00 0.00 -0.205 F ATOM 8 O LIG 1 1.622 0.099 -3.087 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 1.493 -1.917 -0.169 0.00 0.00 +0.054 A ATOM 10 N LIG 1 0.706 -0.807 -3.586 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -0.491 -2.661 -2.806 0.00 0.00 -0.196 N ATOM 12 H LIG 1 -0.913 -2.615 -3.733 0.00 0.00 +0.175 HD BRANCH 11 13 ATOM 13 S LIG 1 -1.667 -3.065 -1.675 0.00 0.00 +0.077 S ATOM 14 O LIG 1 -2.776 -3.650 -2.398 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 -1.020 -3.808 -0.612 0.00 0.00 -0.150 OA BRANCH 13 18 ATOM 16 C LIG 1 -2.479 -0.071 0.928 0.00 0.00 -0.046 A ATOM 17 C LIG 1 -2.108 -1.299 0.372 0.00 0.00 +0.036 A ATOM 18 C LIG 1 -2.210 -1.508 -1.012 0.00 0.00 +0.150 A ATOM 19 C LIG 1 -2.695 -0.505 -1.863 0.00 0.00 +0.147 A ATOM 20 C LIG 1 -3.071 0.717 -1.298 0.00 0.00 +0.048 A ATOM 21 C LIG 1 -2.958 0.934 0.081 0.00 0.00 +0.007 A BRANCH 16 23 ATOM 22 C LIG 1 -0.926 0.645 2.758 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -2.330 0.176 2.407 0.00 0.00 +0.032 C ENDBRANCH 16 23 BRANCH 19 24 ATOM 24 O LIG 1 -2.753 -0.788 -3.199 0.00 0.00 -0.493 OA ATOM 25 C LIG 1 -3.154 0.254 -4.081 0.00 0.00 +0.277 C ENDBRANCH 19 24 ENDBRANCH 13 18 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 4.013 0.583 1.242 0.00 0.00 +0.181 C BRANCH 26 27 ATOM 27 N LIG 1 3.326 1.614 2.006 0.00 0.00 -0.267 N ATOM 28 N LIG 1 3.235 2.870 1.519 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 2.577 3.531 2.474 0.00 0.00 +0.134 A ATOM 30 C LIG 1 2.255 2.712 3.571 0.00 0.00 +0.041 A ATOM 31 C LIG 1 2.756 1.475 3.241 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7