REMARK Name = BDB028692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.519 1.328 1.005 0.00 0.00 +0.191 A ATOM 2 C LIG 1 0.840 1.341 0.615 0.00 0.00 +0.099 A ATOM 3 C LIG 1 1.448 0.446 1.473 0.00 0.00 +0.172 A ATOM 4 C LIG 1 2.808 0.134 1.457 0.00 0.00 +0.055 A ATOM 5 C LIG 1 3.597 0.787 0.490 0.00 0.00 -0.020 A ATOM 6 C LIG 1 3.002 1.699 -0.403 0.00 0.00 +0.044 A ATOM 7 O LIG 1 0.514 -0.068 2.314 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 1.633 1.977 -0.344 0.00 0.00 +0.138 A ATOM 9 F LIG 1 1.094 2.846 -1.209 0.00 0.00 -0.205 F ATOM 10 N LIG 1 -0.722 0.482 2.020 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -1.509 2.088 0.398 0.00 0.00 -0.196 N ATOM 12 H LIG 1 -1.295 2.576 -0.469 0.00 0.00 +0.175 HD BRANCH 11 13 ATOM 13 S LIG 1 -3.149 1.868 0.649 0.00 0.00 +0.081 S ATOM 14 O LIG 1 -3.402 2.142 2.048 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 -3.815 2.646 -0.380 0.00 0.00 -0.150 OA BRANCH 13 17 ATOM 16 C LIG 1 -4.174 -0.663 1.119 0.00 0.00 +0.150 A ATOM 17 C LIG 1 -3.438 0.164 0.266 0.00 0.00 +0.191 A ATOM 18 C LIG 1 -2.927 -0.366 -0.928 0.00 0.00 +0.150 A ATOM 19 C LIG 1 -3.094 -1.722 -1.230 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -3.824 -2.542 -0.373 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -4.378 -2.009 0.789 0.00 0.00 +0.048 A BRANCH 16 23 ATOM 22 C LIG 1 -4.169 -0.598 3.427 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -4.814 -0.174 2.224 0.00 0.00 -0.493 OA ENDBRANCH 16 23 BRANCH 18 24 ATOM 24 O LIG 1 -2.202 0.414 -1.794 0.00 0.00 -0.493 OA ATOM 25 C LIG 1 -2.936 0.657 -2.998 0.00 0.00 +0.277 C ENDBRANCH 18 24 ENDBRANCH 13 17 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 5.078 0.497 0.398 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 N LIG 1 5.386 -0.343 -0.751 0.00 0.00 -0.267 N ATOM 28 N LIG 1 5.771 0.220 -1.916 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 5.978 -0.827 -2.719 0.00 0.00 +0.134 A ATOM 30 C LIG 1 5.737 -2.054 -2.074 0.00 0.00 +0.041 A ATOM 31 C LIG 1 5.360 -1.709 -0.797 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7