REMARK Name = BDB050471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.398 -0.326 -0.628 0.00 0.00 +0.089 A ATOM 2 C LIG 1 -0.178 -1.689 -0.422 0.00 0.00 +0.235 A ATOM 3 F LIG 1 0.874 -2.060 0.328 0.00 0.00 -0.182 F ATOM 4 N LIG 1 -0.941 -2.679 -0.932 0.00 0.00 -0.226 NA ATOM 5 C LIG 1 -1.994 -2.295 -1.687 0.00 0.00 +0.119 A ATOM 6 C LIG 1 -2.327 -0.968 -1.948 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -1.492 0.026 -1.415 0.00 0.00 +0.034 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 -0.340 2.643 -0.767 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 0.486 1.974 -0.150 0.00 0.00 +0.222 C ATOM 10 N LIG 1 0.492 0.599 -0.043 0.00 0.00 -0.282 N ATOM 11 H LIG 1 1.258 0.193 0.504 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 1.611 2.660 0.621 0.00 0.00 +0.090 C ATOM 13 C LIG 1 2.970 2.035 0.319 0.00 0.00 +0.097 C ATOM 14 N LIG 1 3.033 0.969 1.327 0.00 0.00 -0.299 NA ATOM 15 C LIG 1 2.598 1.602 2.574 0.00 0.00 +0.085 C ATOM 16 C LIG 1 1.445 2.502 2.135 0.00 0.00 +0.029 C BRANCH 14 17 ATOM 17 C LIG 1 4.298 0.234 1.442 0.00 0.00 +0.057 C ATOM 18 C LIG 1 4.342 -0.868 0.357 0.00 0.00 +0.024 C ATOM 19 C LIG 1 5.736 -1.460 0.136 0.00 0.00 +0.077 C ATOM 20 C LIG 1 6.653 -1.243 1.323 0.00 0.00 +0.249 C ATOM 21 F LIG 1 6.138 -1.885 2.403 0.00 0.00 -0.206 F ATOM 22 F LIG 1 7.862 -1.805 1.087 0.00 0.00 -0.206 F ATOM 23 C LIG 1 6.837 0.228 1.662 0.00 0.00 +0.077 C ATOM 24 C LIG 1 5.584 1.075 1.405 0.00 0.00 +0.024 C ENDBRANCH 14 17 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 C LIG 1 -3.517 -0.611 -2.806 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 N LIG 1 -4.791 -1.091 -2.268 0.00 0.00 -0.289 N ATOM 27 C LIG 1 -5.466 -0.392 -1.219 0.00 0.00 +0.059 A ATOM 28 C LIG 1 -6.661 -0.908 -0.704 0.00 0.00 +0.063 A ATOM 29 C LIG 1 -7.353 -0.267 0.331 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -6.856 0.916 0.867 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.674 1.451 0.366 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -7.203 -2.154 -1.264 0.00 0.00 +0.262 A ATOM 33 O LIG 1 -8.234 -2.663 -0.843 0.00 0.00 -0.267 OA ATOM 34 N LIG 1 -6.487 -2.712 -2.285 0.00 0.00 -0.274 N ATOM 35 H LIG 1 -6.841 -3.578 -2.663 0.00 0.00 +0.173 HD ATOM 36 C LIG 1 -4.987 0.805 -0.668 0.00 0.00 +0.027 A ATOM 37 C LIG 1 -5.303 -2.266 -2.796 0.00 0.00 +0.330 A ATOM 38 O LIG 1 -4.745 -2.919 -3.676 0.00 0.00 -0.246 OA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5