REMARK Name = BDB040510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.659 -1.784 0.494 0.00 0.00 -0.028 A ATOM 2 C LIG 1 1.485 -2.557 -0.322 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.766 -2.111 -0.678 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 3.695 -3.194 -1.661 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 3.263 -0.864 -0.241 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.419 -0.100 0.595 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 2.885 1.431 1.256 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 1.141 -0.554 0.951 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.652 -0.388 -0.659 0.00 0.00 +0.108 C ATOM 10 C LIG 1 4.652 0.997 -1.302 0.00 0.00 +0.227 C ATOM 11 O LIG 1 3.764 1.386 -2.058 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 5.757 1.780 -1.068 0.00 0.00 -0.256 N ATOM 13 H LIG 1 5.752 2.689 -1.512 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 6.955 1.395 -0.523 0.00 0.00 +0.219 C ATOM 15 O LIG 1 7.936 2.133 -0.561 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 7.024 -0.007 0.031 0.00 0.00 +0.097 C ATOM 17 C LIG 1 5.658 -0.486 0.494 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.732 -2.241 0.852 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 -2.403 -0.445 0.560 0.00 0.00 +0.225 C ATOM 20 N LIG 1 -1.717 -1.537 0.060 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -1.675 -1.675 -0.940 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -2.253 -0.087 1.728 0.00 0.00 -0.275 OA BRANCH 19 23 ATOM 23 C LIG 1 -3.292 0.312 -0.455 0.00 0.00 +0.084 C ATOM 24 C LIG 1 -2.298 1.111 -1.339 0.00 0.00 +0.027 C ATOM 25 C LIG 1 -4.082 -0.635 -1.383 0.00 0.00 +0.027 C BRANCH 23 28 ATOM 26 C LIG 1 -5.213 -0.460 1.947 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -5.168 0.870 1.262 0.00 0.00 -0.010 A ATOM 28 C LIG 1 -4.305 1.250 0.232 0.00 0.00 +0.062 A ATOM 29 N LIG 1 -4.380 2.499 -0.302 0.00 0.00 -0.239 NA ATOM 30 C LIG 1 -5.261 3.363 0.225 0.00 0.00 +0.221 A ATOM 31 N LIG 1 -6.101 3.107 1.227 0.00 0.00 -0.243 NA ATOM 32 C LIG 1 -6.026 1.862 1.724 0.00 0.00 +0.117 A ENDBRANCH 23 28 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5