REMARK Name = BDB002844 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.852 0.409 0.009 0.00 0.00 +0.165 A ATOM 2 C LIG 1 -0.163 1.492 -0.125 0.00 0.00 +0.269 A ATOM 3 O LIG 1 0.202 2.653 -0.311 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -1.513 1.142 -0.072 0.00 0.00 -0.307 N ATOM 5 C LIG 1 -1.938 -0.206 0.124 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -0.969 -1.220 0.211 0.00 0.00 +0.042 A ATOM 7 C LIG 1 -1.373 -2.557 0.385 0.00 0.00 +0.033 A ATOM 8 C LIG 1 -2.722 -2.884 0.478 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -3.686 -1.889 0.404 0.00 0.00 +0.022 A ATOM 10 CL LIG 1 -3.198 -4.522 0.693 0.00 0.00 -0.084 Cl ATOM 11 C LIG 1 -3.296 -0.558 0.229 0.00 0.00 +0.028 A ATOM 12 C LIG 1 0.459 -0.873 0.138 0.00 0.00 +0.145 A ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 2.287 0.783 0.053 0.00 0.00 +0.348 C ATOM 14 O LIG 1 2.740 1.771 0.607 0.00 0.00 -0.245 OA BRANCH 13 15 ATOM 15 O LIG 1 3.039 -0.159 -0.590 0.00 0.00 -0.461 OA BRANCH 15 17 ATOM 16 C LIG 1 5.142 -0.962 -1.391 0.00 0.00 +0.048 C ATOM 17 C LIG 1 4.441 0.149 -0.635 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 4 18 ATOM 18 C LIG 1 -2.488 2.229 -0.194 0.00 0.00 +0.122 C ATOM 19 C LIG 1 -2.885 2.796 1.162 0.00 0.00 +0.027 C ENDBRANCH 4 18 BRANCH 12 20 ATOM 20 O LIG 1 1.318 -1.954 0.249 0.00 0.00 -0.505 OA ATOM 21 H LIG 1 2.220 -1.673 0.000 0.00 0.00 +0.292 HD ENDBRANCH 12 20 TORSDOF 5