REMARK Name = BDB050691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.384 0.129 -0.191 0.00 0.00 +0.285 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.133 -1.284 -0.708 0.00 0.00 +0.346 C ATOM 3 O LIG 1 0.316 -1.701 -1.841 0.00 0.00 -0.247 OA BRANCH 2 4 ATOM 4 O LIG 1 -0.341 -2.114 0.248 0.00 0.00 -0.478 OA ATOM 5 H LIG 1 -0.485 -2.961 -0.225 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 C LIG 1 -0.767 1.038 -0.657 0.00 0.00 +0.091 C BRANCH 6 9 ATOM 7 C LIG 1 -3.148 -0.201 -2.077 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -3.189 0.184 -0.623 0.00 0.00 -0.047 A ATOM 9 C LIG 1 -2.088 0.774 0.034 0.00 0.00 -0.040 A ATOM 10 C LIG 1 -2.214 1.134 1.389 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -3.399 0.905 2.087 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -4.479 0.317 1.441 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -4.376 -0.038 0.097 0.00 0.00 +0.003 A ENDBRANCH 6 9 ENDBRANCH 1 6 BRANCH 1 14 ATOM 14 O LIG 1 1.584 0.680 -0.745 0.00 0.00 -0.477 OA BRANCH 14 15 ATOM 15 C LIG 1 2.788 0.260 -0.253 0.00 0.00 +0.122 A ATOM 16 C LIG 1 3.897 0.833 -0.885 0.00 0.00 +0.047 A ATOM 17 C LIG 1 5.196 0.501 -0.490 0.00 0.00 +0.023 A ATOM 18 C LIG 1 5.387 -0.409 0.544 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 6.981 -0.824 1.039 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 4.291 -0.986 1.182 0.00 0.00 +0.023 A ATOM 21 C LIG 1 2.990 -0.652 0.784 0.00 0.00 +0.047 A ENDBRANCH 14 15 ENDBRANCH 1 14 TORSDOF 6