REMARK Name = BDB050468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.290 -2.258 0.664 0.00 0.00 +0.089 A ATOM 2 C LIG 1 -1.507 -3.386 1.458 0.00 0.00 +0.235 A ATOM 3 F LIG 1 -0.518 -3.786 2.276 0.00 0.00 -0.182 F ATOM 4 N LIG 1 -2.643 -4.118 1.472 0.00 0.00 -0.226 NA ATOM 5 C LIG 1 -3.626 -3.703 0.646 0.00 0.00 +0.119 A ATOM 6 C LIG 1 -3.538 -2.586 -0.182 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -2.330 -1.871 -0.178 0.00 0.00 +0.034 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 -0.384 0.272 -0.572 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 0.339 -0.425 0.130 0.00 0.00 +0.222 C ATOM 10 N LIG 1 -0.042 -1.598 0.759 0.00 0.00 -0.282 N ATOM 11 H LIG 1 0.621 -2.028 1.397 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 1.771 -0.029 0.464 0.00 0.00 +0.090 C ATOM 13 C LIG 1 2.226 1.226 -0.275 0.00 0.00 +0.097 C ATOM 14 N LIG 1 3.686 1.088 -0.425 0.00 0.00 -0.297 NA ATOM 15 C LIG 1 3.870 -0.340 -0.721 0.00 0.00 +0.085 C ATOM 16 C LIG 1 2.808 -1.087 0.078 0.00 0.00 +0.029 C BRANCH 14 17 ATOM 17 C LIG 1 4.404 1.518 0.788 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 C LIG 1 5.908 1.554 0.610 0.00 0.00 -0.033 A ATOM 19 C LIG 1 6.750 0.897 1.519 0.00 0.00 +0.005 A ATOM 20 C LIG 1 8.137 0.949 1.365 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.697 1.660 0.305 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.872 2.322 -0.602 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.485 2.273 -0.448 0.00 0.00 +0.005 A ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 24 ATOM 24 C LIG 1 -4.696 -2.231 -1.087 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 N LIG 1 -4.853 -0.798 -1.340 0.00 0.00 -0.289 N ATOM 26 C LIG 1 -5.385 0.077 -0.343 0.00 0.00 +0.059 A ATOM 27 C LIG 1 -5.500 1.445 -0.616 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -6.014 2.341 0.331 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -6.424 1.874 1.576 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.319 0.517 1.868 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -5.071 1.952 -1.928 0.00 0.00 +0.262 A ATOM 32 O LIG 1 -5.167 3.136 -2.229 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -4.571 1.022 -2.795 0.00 0.00 -0.274 N ATOM 34 H LIG 1 -4.263 1.358 -3.694 0.00 0.00 +0.173 HD ATOM 35 C LIG 1 -5.805 -0.374 0.918 0.00 0.00 +0.027 A ATOM 36 C LIG 1 -4.443 -0.320 -2.578 0.00 0.00 +0.330 A ATOM 37 O LIG 1 -3.983 -1.032 -3.469 0.00 0.00 -0.246 OA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 6