REMARK Name = BDB046209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.578 2.379 1.345 0.00 0.00 +0.066 C ATOM 2 C LIG 1 -1.407 1.552 0.429 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.952 0.718 -0.577 0.00 0.00 +0.050 A ATOM 4 S LIG 1 -2.285 -0.048 -1.332 0.00 0.00 -0.069 S ATOM 5 C LIG 1 -3.376 0.783 -0.289 0.00 0.00 +0.109 A ATOM 6 N LIG 1 -2.784 1.586 0.575 0.00 0.00 -0.244 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.842 0.602 -0.368 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -5.479 -0.177 -1.347 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -6.874 -0.305 -1.374 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -7.673 0.340 -0.419 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -7.047 1.126 0.557 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -5.654 1.250 0.581 0.00 0.00 +0.011 A BRANCH 10 13 ATOM 13 C LIG 1 -9.176 0.216 -0.470 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -9.592 -1.033 -0.827 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -9.780 0.483 0.723 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -9.735 1.069 -1.375 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 3 17 ATOM 17 C LIG 1 0.447 0.448 -1.027 0.00 0.00 +0.273 C BRANCH 17 18 ATOM 18 O LIG 1 1.128 -0.122 0.088 0.00 0.00 -0.487 OA BRANCH 18 19 ATOM 19 C LIG 1 2.436 -0.476 -0.091 0.00 0.00 +0.121 A ATOM 20 C LIG 1 3.195 -0.278 -1.244 0.00 0.00 +0.046 A ATOM 21 C LIG 1 4.528 -0.704 -1.291 0.00 0.00 +0.007 A ATOM 22 C LIG 1 5.119 -1.330 -0.186 0.00 0.00 -0.047 A ATOM 23 C LIG 1 4.357 -1.511 0.973 0.00 0.00 +0.007 A ATOM 24 C LIG 1 3.026 -1.089 1.016 0.00 0.00 +0.046 A BRANCH 22 25 ATOM 25 C LIG 1 6.559 -1.782 -0.234 0.00 0.00 +0.046 C BRANCH 25 26 ATOM 26 C LIG 1 7.524 -0.693 0.225 0.00 0.00 +0.125 C BRANCH 26 27 ATOM 27 C LIG 1 7.475 -0.519 1.723 0.00 0.00 +0.305 C ATOM 28 O LIG 1 7.719 -1.417 2.519 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 7.138 0.729 2.121 0.00 0.00 -0.481 OA ATOM 30 H LIG 1 6.907 1.338 1.392 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 9