REMARK Name = BDB009908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.653 0.032 0.054 0.00 0.00 -0.288 N ATOM 2 C LIG 1 0.506 -0.840 0.351 0.00 0.00 +0.114 C ATOM 3 C LIG 1 1.908 -0.214 0.095 0.00 0.00 +0.045 C ATOM 4 C LIG 1 1.924 1.262 0.524 0.00 0.00 +0.026 C ATOM 5 C LIG 1 0.749 2.097 -0.015 0.00 0.00 +0.055 C ATOM 6 C LIG 1 0.867 2.311 -1.541 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.603 1.413 0.219 0.00 0.00 +0.223 C ATOM 8 O LIG 1 -1.600 2.107 0.409 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 0.438 -1.455 1.756 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.779 -2.810 1.927 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.752 -3.402 3.192 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.387 -2.646 4.302 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.355 -3.374 5.861 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.051 -1.305 4.156 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.078 -0.713 2.890 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 2.538 -0.448 -1.282 0.00 0.00 -0.041 A ATOM 17 C LIG 1 1.824 -0.898 -2.403 0.00 0.00 +0.024 A ATOM 18 C LIG 1 2.466 -1.103 -3.628 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 1.550 -1.642 -4.982 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 3.830 -0.871 -3.762 0.00 0.00 +0.020 A ATOM 21 C LIG 1 4.560 -0.432 -2.661 0.00 0.00 +0.002 A ATOM 22 C LIG 1 3.920 -0.225 -1.435 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 -1.965 -0.658 -0.182 0.00 0.00 +0.107 C BRANCH 23 25 ATOM 24 C LIG 1 -4.201 0.485 0.669 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -3.018 -0.436 0.937 0.00 0.00 +0.022 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 -2.422 -0.495 -1.666 0.00 0.00 +0.160 C BRANCH 26 27 ATOM 27 O LIG 1 -2.976 0.787 -1.938 0.00 0.00 -0.388 OA ATOM 28 H LIG 1 -3.027 0.905 -2.901 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -3.407 -1.595 -2.093 0.00 0.00 +0.189 C BRANCH 29 30 ATOM 30 O LIG 1 -2.759 -2.861 -2.168 0.00 0.00 -0.392 OA ATOM 31 H LIG 1 -2.297 -2.904 -3.023 0.00 0.00 +0.210 HD ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 0.758 3.515 0.623 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 0.358 3.577 2.076 0.00 0.00 +0.306 C ATOM 34 O LIG 1 0.428 2.689 2.907 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -0.051 4.811 2.432 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -0.313 4.715 3.371 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 11