REMARK Name = BDB065287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.862 -0.015 0.571 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.287 0.932 -0.275 0.00 0.00 +0.025 A ATOM 3 C LIG 1 1.101 0.979 -0.438 0.00 0.00 +0.010 A ATOM 4 C LIG 1 1.941 0.081 0.242 0.00 0.00 -0.018 A ATOM 5 C LIG 1 1.344 -0.865 1.092 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.044 -0.915 1.256 0.00 0.00 +0.025 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.402 0.135 0.074 0.00 0.00 -0.015 A ATOM 8 C LIG 1 4.256 0.213 1.182 0.00 0.00 +0.050 A ATOM 9 C LIG 1 5.638 0.263 1.006 0.00 0.00 +0.165 A ATOM 10 F LIG 1 6.421 0.328 2.094 0.00 0.00 -0.202 F ATOM 11 C LIG 1 6.216 0.246 -0.266 0.00 0.00 +0.156 A ATOM 12 C LIG 1 5.379 0.155 -1.376 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.988 0.104 -1.204 0.00 0.00 +0.012 A BRANCH 11 14 ATOM 14 O LIG 1 7.585 0.282 -0.297 0.00 0.00 -0.478 OA BRANCH 14 15 ATOM 15 C LIG 1 8.215 0.613 -1.533 0.00 0.00 +0.349 C BRANCH 15 16 ATOM 16 C LIG 1 8.515 -0.626 -2.361 0.00 0.00 +0.343 C ATOM 17 O LIG 1 8.770 -0.605 -3.556 0.00 0.00 -0.247 OA BRANCH 16 18 ATOM 18 O LIG 1 8.498 -1.770 -1.635 0.00 0.00 -0.478 OA ATOM 19 H LIG 1 8.258 -1.583 -0.701 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 N LIG 1 -2.302 -0.026 0.699 0.00 0.00 -0.203 N BRANCH 20 21 ATOM 21 S LIG 1 -2.820 0.471 2.277 0.00 0.00 +0.077 S ATOM 22 O LIG 1 -2.098 1.659 2.686 0.00 0.00 -0.150 OA ATOM 23 O LIG 1 -2.761 -0.716 3.105 0.00 0.00 -0.150 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.505 0.966 1.998 0.00 0.00 +0.145 A ATOM 25 C LIG 1 -5.594 0.315 2.597 0.00 0.00 +0.069 A ATOM 26 CL LIG 1 -5.506 -1.055 3.644 0.00 0.00 -0.081 Cl ATOM 27 C LIG 1 -6.903 0.764 2.351 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -7.143 1.854 1.524 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -6.069 2.507 0.934 0.00 0.00 +0.022 A ATOM 30 C LIG 1 -4.755 2.075 1.166 0.00 0.00 +0.069 A ATOM 31 CL LIG 1 -3.538 2.994 0.348 0.00 0.00 -0.081 Cl ENDBRANCH 21 24 ENDBRANCH 20 21 BRANCH 20 32 ATOM 32 C LIG 1 -2.970 -1.274 0.204 0.00 0.00 +0.134 C BRANCH 32 34 ATOM 33 C LIG 1 -3.706 -0.245 -2.001 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -2.921 -1.375 -1.333 0.00 0.00 +0.002 C ATOM 35 C LIG 1 -3.481 -2.728 -1.778 0.00 0.00 +0.009 C ENDBRANCH 32 34 ENDBRANCH 20 32 ENDBRANCH 1 20 TORSDOF 10