REMARK Name = BDB009543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.310 -0.379 0.487 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -0.968 0.377 0.501 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.261 -0.487 0.455 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.064 -1.707 -0.447 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -0.887 -2.515 0.087 0.00 0.00 +0.086 C ATOM 6 C LIG 1 0.381 -1.683 -0.007 0.00 0.00 +0.220 C ATOM 7 O LIG 1 1.423 -2.166 -0.446 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -1.037 1.318 1.707 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -1.353 2.675 1.524 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -1.438 3.537 2.619 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.209 3.051 3.904 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 -1.311 4.114 5.252 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -0.897 1.708 4.105 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -0.815 0.844 3.011 0.00 0.00 +0.007 A ENDBRANCH 2 8 BRANCH 3 15 ATOM 15 C LIG 1 -3.486 0.318 0.032 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -4.496 0.588 0.970 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -5.614 1.341 0.609 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -6.838 1.664 1.774 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -5.745 1.836 -0.686 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -4.749 1.578 -1.626 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.626 0.827 -1.270 0.00 0.00 +0.004 A ENDBRANCH 3 15 BRANCH 1 22 ATOM 22 C LIG 1 1.559 0.433 0.402 0.00 0.00 +0.185 C BRANCH 22 24 ATOM 23 C LIG 1 3.267 -1.217 1.522 0.00 0.00 +0.006 C ATOM 24 C LIG 1 2.591 0.144 1.512 0.00 0.00 +0.030 C ENDBRANCH 22 24 BRANCH 22 25 ATOM 25 C LIG 1 2.077 0.543 -1.049 0.00 0.00 +0.328 C ATOM 26 O LIG 1 1.330 0.617 -2.020 0.00 0.00 -0.249 OA BRANCH 25 27 ATOM 27 O LIG 1 3.432 0.629 -1.090 0.00 0.00 -0.458 OA BRANCH 27 28 ATOM 28 C LIG 1 4.137 0.689 -2.356 0.00 0.00 +0.105 C ATOM 29 C LIG 1 3.877 -0.567 -3.196 0.00 0.00 +0.055 C ATOM 30 C LIG 1 5.623 0.722 -1.971 0.00 0.00 +0.055 C ATOM 31 C LIG 1 3.800 1.972 -3.121 0.00 0.00 +0.055 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 5 32 ATOM 32 C LIG 1 -0.721 -3.837 -0.671 0.00 0.00 +0.133 C BRANCH 32 33 ATOM 33 C LIG 1 -1.830 -4.801 -0.373 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -2.632 -5.246 -1.176 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.875 -5.173 0.919 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -2.612 -5.819 0.955 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10