REMARK Name = BDB059053 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.010 0.893 -0.106 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.136 -0.115 0.129 0.00 0.00 -0.039 A ATOM 3 C LIG 1 1.328 -1.213 -0.726 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.368 -2.118 -0.498 0.00 0.00 +0.020 A ATOM 5 C LIG 1 3.224 -1.933 0.584 0.00 0.00 +0.041 A ATOM 6 CL LIG 1 4.503 -3.048 0.864 0.00 0.00 -0.084 Cl ATOM 7 C LIG 1 3.051 -0.849 1.441 0.00 0.00 +0.020 A ATOM 8 C LIG 1 2.011 0.056 1.215 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 9 C LIG 1 -1.365 0.221 -0.059 0.00 0.00 -0.036 A ATOM 10 C LIG 1 -1.893 -0.152 1.192 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -3.136 -0.775 1.275 0.00 0.00 +0.117 A ATOM 12 C LIG 1 -3.877 -1.042 0.133 0.00 0.00 +0.045 A ATOM 13 C LIG 1 -3.366 -0.688 -1.113 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -2.119 -0.064 -1.210 0.00 0.00 +0.004 A BRANCH 11 15 ATOM 15 O LIG 1 -3.667 -1.146 2.476 0.00 0.00 -0.507 OA ATOM 16 H LIG 1 -3.025 -0.940 3.174 0.00 0.00 +0.292 HD ENDBRANCH 11 15 ENDBRANCH 1 9 BRANCH 1 17 ATOM 17 C LIG 1 0.265 1.730 -1.371 0.00 0.00 +0.133 C BRANCH 17 19 ATOM 18 O LIG 1 2.397 2.631 -2.103 0.00 0.00 -0.251 OA ATOM 19 C LIG 1 1.506 2.571 -1.272 0.00 0.00 +0.306 C BRANCH 19 20 ATOM 20 O LIG 1 1.540 3.359 -0.181 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 2.374 3.865 -0.287 0.00 0.00 +0.295 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 6