REMARK Name = BDB001405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.271 -0.215 -0.044 0.00 0.00 +0.121 A ATOM 2 C LIG 1 2.394 0.474 -0.879 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.020 0.477 -0.608 0.00 0.00 +0.011 A ATOM 4 C LIG 1 0.501 -0.217 0.493 0.00 0.00 -0.025 A ATOM 5 C LIG 1 1.390 -0.892 1.336 0.00 0.00 +0.011 A ATOM 6 C LIG 1 2.762 -0.893 1.065 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.945 -0.162 0.750 0.00 0.00 +0.012 C ATOM 8 C LIG 1 -1.652 -1.188 1.248 0.00 0.00 +0.052 C BRANCH 8 9 ATOM 9 C LIG 1 -3.107 -1.136 1.543 0.00 0.00 +0.186 C ATOM 10 O LIG 1 -3.562 -1.817 2.458 0.00 0.00 -0.287 OA BRANCH 9 11 ATOM 11 C LIG 1 -4.014 -0.276 0.745 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -5.066 0.372 1.404 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -5.954 1.175 0.684 0.00 0.00 +0.021 A ATOM 14 C LIG 1 -5.798 1.317 -0.694 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -6.891 2.306 -1.581 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -4.767 0.656 -1.361 0.00 0.00 +0.021 A ATOM 17 C LIG 1 -3.876 -0.148 -0.644 0.00 0.00 +0.013 A ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 O LIG 1 4.628 -0.298 -0.189 0.00 0.00 -0.481 OA BRANCH 18 19 ATOM 19 C LIG 1 5.197 0.332 -1.328 0.00 0.00 +0.349 C BRANCH 19 21 ATOM 20 O LIG 1 7.510 0.933 -1.818 0.00 0.00 -0.247 OA ATOM 21 C LIG 1 6.700 0.130 -1.378 0.00 0.00 +0.343 C BRANCH 21 22 ATOM 22 O LIG 1 7.113 -1.078 -0.946 0.00 0.00 -0.478 OA ATOM 23 H LIG 1 8.087 -1.054 -1.043 0.00 0.00 +0.295 HD ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7