REMARK Name = BDB031483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.601 -0.847 -0.847 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -1.933 -1.114 0.557 0.00 0.00 -0.256 N ATOM 3 C LIG 1 -0.892 -0.865 1.421 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -0.854 -1.022 2.627 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 0.206 -0.320 0.625 0.00 0.00 +0.045 A ATOM 6 C LIG 1 1.438 0.135 1.069 0.00 0.00 +0.020 A ATOM 7 C LIG 1 2.322 0.689 0.131 0.00 0.00 -0.013 A ATOM 8 C LIG 1 1.909 0.750 -1.227 0.00 0.00 +0.007 A ATOM 9 C LIG 1 0.655 0.285 -1.647 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -0.197 -0.273 -0.706 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -2.613 0.128 -1.470 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.631 -0.329 -2.330 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -4.583 0.549 -2.857 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -4.542 1.898 -2.520 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -5.725 2.974 -3.151 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -3.558 2.377 -1.662 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.605 1.499 -1.137 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 -0.937 -2.263 -2.713 0.00 0.00 +0.197 C ATOM 19 O LIG 1 -1.598 -2.139 -1.465 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 3.716 1.189 0.523 0.00 0.00 +0.111 C ATOM 21 C LIG 1 3.835 1.640 1.988 0.00 0.00 +0.049 C BRANCH 20 22 ATOM 22 O LIG 1 4.004 2.346 -0.285 0.00 0.00 -0.382 OA ATOM 23 H LIG 1 3.426 3.062 0.027 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 4.762 0.087 0.195 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 O LIG 1 6.057 0.431 0.708 0.00 0.00 -0.374 OA BRANCH 25 26 ATOM 26 C LIG 1 7.067 -0.512 0.352 0.00 0.00 +0.187 C BRANCH 26 27 ATOM 27 C LIG 1 7.094 -1.705 1.304 0.00 0.00 +0.184 C BRANCH 27 28 ATOM 28 O LIG 1 8.129 -2.606 0.932 0.00 0.00 -0.393 OA ATOM 29 H LIG 1 8.148 -3.310 1.603 0.00 0.00 +0.209 HD ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 30 ATOM 30 C LIG 1 -3.177 -1.741 0.977 0.00 0.00 +0.166 C BRANCH 30 31 ATOM 31 C LIG 1 -4.295 -0.751 1.229 0.00 0.00 +0.059 A ATOM 32 N LIG 1 -5.405 -0.852 0.452 0.00 0.00 -0.257 NA ATOM 33 C LIG 1 -6.385 0.065 0.644 0.00 0.00 +0.131 A ATOM 34 C LIG 1 -6.321 1.077 1.588 0.00 0.00 +0.059 A ATOM 35 CL LIG 1 -7.601 2.204 1.763 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 -5.192 1.156 2.392 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -4.165 0.230 2.215 0.00 0.00 +0.026 A ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 11