REMARK Name = BDB060708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.722 0.277 0.060 0.00 0.00 +0.048 A ATOM 2 N LIG 1 -1.230 -0.631 -0.850 0.00 0.00 -0.354 N ATOM 3 H LIG 1 -1.786 -1.094 -1.555 0.00 0.00 +0.166 HD ATOM 4 C LIG 1 0.121 -0.819 -0.673 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.513 0.007 0.378 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.865 0.010 0.771 0.00 0.00 +0.013 A ATOM 7 C LIG 1 2.787 -0.817 0.105 0.00 0.00 -0.046 A ATOM 8 C LIG 1 2.354 -1.630 -0.949 0.00 0.00 +0.006 A ATOM 9 C LIG 1 1.016 -1.647 -1.357 0.00 0.00 +0.026 A ATOM 10 C LIG 1 -0.648 0.698 0.822 0.00 0.00 +0.036 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.895 -1.676 0.713 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -4.163 -0.231 0.388 0.00 0.00 -0.040 A ATOM 13 C LIG 1 -3.125 0.679 0.095 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -3.438 2.021 -0.174 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -4.763 2.461 -0.175 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -5.785 1.559 0.094 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -7.421 2.093 0.085 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -5.494 0.224 0.372 0.00 0.00 +0.024 A ENDBRANCH 1 13 BRANCH 7 19 ATOM 19 C LIG 1 4.243 -0.798 0.504 0.00 0.00 +0.046 C BRANCH 19 20 ATOM 20 C LIG 1 5.006 0.287 -0.251 0.00 0.00 +0.125 C BRANCH 20 21 ATOM 21 C LIG 1 6.463 0.305 0.138 0.00 0.00 +0.305 C ATOM 22 O LIG 1 6.993 -0.453 0.933 0.00 0.00 -0.251 OA BRANCH 21 23 ATOM 23 O LIG 1 7.154 1.275 -0.507 0.00 0.00 -0.481 OA ATOM 24 H LIG 1 6.608 1.809 -1.115 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 7 19 TORSDOF 5