REMARK Name = BDB062908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.177 -0.223 -1.688 0.00 0.00 -0.438 OA ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -3.622 0.709 1.388 0.00 0.00 +0.044 C ATOM 3 C LIG 1 -2.784 -0.196 0.524 0.00 0.00 -0.044 A ATOM 4 C LIG 1 -1.683 0.292 -0.213 0.00 0.00 -0.005 A ATOM 5 C LIG 1 -1.294 1.746 -0.163 0.00 0.00 +0.048 C ATOM 6 C LIG 1 -0.924 -0.623 -0.968 0.00 0.00 +0.133 A ATOM 7 C LIG 1 -1.299 -1.964 -1.075 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -2.405 -2.430 -0.375 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -3.138 -1.553 0.425 0.00 0.00 +0.004 A ENDBRANCH 1 6 BRANCH 1 10 ATOM 10 C LIG 1 1.362 -0.042 -1.004 0.00 0.00 +0.221 A ATOM 11 N LIG 1 2.260 0.711 -1.676 0.00 0.00 -0.219 NA ATOM 12 C LIG 1 3.458 0.924 -1.079 0.00 0.00 +0.137 A ATOM 13 C LIG 1 3.811 0.465 0.187 0.00 0.00 +0.043 A ATOM 14 C LIG 1 2.890 -0.363 0.820 0.00 0.00 +0.029 A ATOM 15 C LIG 1 1.647 -0.610 0.233 0.00 0.00 +0.069 A BRANCH 13 16 ATOM 16 N LIG 1 5.101 0.620 0.702 0.00 0.00 -0.357 N ATOM 17 H LIG 1 5.589 1.445 0.364 0.00 0.00 +0.142 HD ATOM 18 H LIG 1 5.159 0.527 1.712 0.00 0.00 +0.142 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 3