REMARK Name = BDB033556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.717 0.789 -1.595 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.665 0.523 -1.423 0.00 0.00 +0.106 A ATOM 3 C LIG 1 1.177 1.719 -0.954 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.521 1.942 -0.664 0.00 0.00 +0.055 A ATOM 5 C LIG 1 3.407 0.870 -0.886 0.00 0.00 -0.019 A ATOM 6 C LIG 1 2.917 -0.364 -1.348 0.00 0.00 +0.052 A ATOM 7 O LIG 1 0.166 2.617 -0.820 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 1.549 -0.556 -1.587 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -1.025 2.031 -1.212 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -1.631 -0.133 -2.084 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -1.326 -1.075 -2.306 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -3.292 0.041 -1.991 0.00 0.00 +0.081 S ATOM 13 O LIG 1 -3.643 1.212 -2.764 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -3.839 -1.257 -2.342 0.00 0.00 -0.150 OA BRANCH 12 16 ATOM 15 C LIG 1 -3.072 -0.626 0.663 0.00 0.00 +0.150 A ATOM 16 C LIG 1 -3.610 0.280 -0.265 0.00 0.00 +0.191 A ATOM 17 C LIG 1 -4.385 1.349 0.194 0.00 0.00 +0.150 A ATOM 18 C LIG 1 -4.594 1.523 1.569 0.00 0.00 +0.048 A ATOM 19 C LIG 1 -4.008 0.654 2.488 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -3.245 -0.419 2.036 0.00 0.00 +0.048 A BRANCH 15 22 ATOM 21 C LIG 1 -3.069 -2.917 0.438 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -2.327 -1.705 0.255 0.00 0.00 -0.493 OA ENDBRANCH 15 22 BRANCH 17 23 ATOM 23 O LIG 1 -5.057 2.171 -0.666 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -4.501 3.487 -0.676 0.00 0.00 +0.277 C ENDBRANCH 17 23 ENDBRANCH 12 16 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 5 25 ATOM 25 C LIG 1 4.880 1.041 -0.589 0.00 0.00 +0.178 C BRANCH 25 26 ATOM 26 N LIG 1 5.150 0.893 0.834 0.00 0.00 -0.267 N ATOM 27 N LIG 1 5.209 1.983 1.628 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.482 1.480 2.835 0.00 0.00 +0.134 A ATOM 29 C LIG 1 5.604 0.079 2.817 0.00 0.00 +0.041 A ATOM 30 C LIG 1 5.388 -0.274 1.506 0.00 0.00 +0.108 A ENDBRANCH 25 26 ENDBRANCH 5 25 BRANCH 8 31 ATOM 31 O LIG 1 1.113 -1.788 -2.018 0.00 0.00 -0.482 OA BRANCH 31 32 ATOM 32 C LIG 1 0.754 -2.625 -0.898 0.00 0.00 +0.342 C BRANCH 32 33 ATOM 33 C LIG 1 1.768 -3.731 -0.650 0.00 0.00 +0.424 C ATOM 34 F LIG 1 2.968 -3.239 -0.269 0.00 0.00 -0.167 F ATOM 35 F LIG 1 1.338 -4.551 0.339 0.00 0.00 -0.167 F ATOM 36 F LIG 1 1.961 -4.491 -1.750 0.00 0.00 -0.167 F ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 10