REMARK Name = BDB001207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.396 -0.567 -0.179 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -0.210 -0.955 -0.814 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.029 -0.809 -0.184 0.00 0.00 +0.015 A ATOM 4 C LIG 1 1.092 -0.257 1.096 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.091 0.110 1.746 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -1.329 -0.040 1.109 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.379 -0.089 1.817 0.00 0.00 +0.193 C ATOM 8 O LIG 1 2.408 -0.241 3.035 0.00 0.00 -0.287 OA BRANCH 7 9 ATOM 9 C LIG 1 3.633 0.260 1.103 0.00 0.00 +0.022 A ATOM 10 C LIG 1 4.842 -0.257 1.589 0.00 0.00 +0.013 A ATOM 11 C LIG 1 6.046 0.061 0.955 0.00 0.00 +0.021 A ATOM 12 C LIG 1 6.041 0.904 -0.155 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 7.522 1.296 -0.937 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 4.844 1.439 -0.633 0.00 0.00 +0.021 A ATOM 15 C LIG 1 3.638 1.123 -0.000 0.00 0.00 +0.013 A ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 16 ATOM 16 O LIG 1 -2.513 -0.774 -0.932 0.00 0.00 -0.475 OA BRANCH 16 18 ATOM 17 C LIG 1 -4.713 -0.569 -1.741 0.00 0.00 +0.067 C ATOM 18 C LIG 1 -3.821 -0.402 -0.494 0.00 0.00 +0.200 C ATOM 19 C LIG 1 -4.332 -1.391 0.565 0.00 0.00 +0.067 C BRANCH 18 20 ATOM 20 C LIG 1 -4.009 1.058 -0.040 0.00 0.00 +0.348 C ATOM 21 O LIG 1 -4.604 1.440 0.957 0.00 0.00 -0.247 OA BRANCH 20 22 ATOM 22 O LIG 1 -3.441 1.961 -0.868 0.00 0.00 -0.478 OA ATOM 23 H LIG 1 -3.627 2.828 -0.450 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 1 16 TORSDOF 6