REMARK Name = BDB009642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.648 -2.024 -2.256 0.00 0.00 +0.021 C ATOM 2 C LIG 1 0.064 -2.241 -0.908 0.00 0.00 +0.055 C ATOM 3 C LIG 1 1.249 -1.268 -0.811 0.00 0.00 +0.223 C ATOM 4 O LIG 1 2.385 -1.665 -1.073 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 0.963 0.069 -0.522 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -0.412 0.483 -0.153 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -1.155 -0.586 0.702 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -0.874 -2.042 0.292 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -0.516 1.856 0.527 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.015 2.079 1.822 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.138 3.330 2.431 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.765 4.371 1.752 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.913 5.913 2.499 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.270 4.172 0.470 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.147 2.921 -0.140 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -2.659 -0.319 0.789 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.233 0.028 2.024 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.599 0.296 2.119 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.281 0.727 3.638 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.414 0.219 0.993 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.858 -0.128 -0.238 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.491 -0.393 -0.339 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 2.053 1.076 -0.592 0.00 0.00 +0.108 C ATOM 24 C LIG 1 3.000 1.107 0.638 0.00 0.00 +0.163 C ATOM 25 C LIG 1 4.401 1.333 0.050 0.00 0.00 +0.145 C ATOM 26 C LIG 1 4.362 0.633 -1.296 0.00 0.00 +0.036 C ATOM 27 C LIG 1 2.977 0.977 -1.832 0.00 0.00 +0.028 C BRANCH 24 28 ATOM 28 O LIG 1 2.954 -0.094 1.413 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 3.890 -0.292 1.625 0.00 0.00 +0.210 HD ENDBRANCH 24 28 BRANCH 25 30 ATOM 30 O LIG 1 5.400 0.792 0.906 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 6.239 0.797 0.411 0.00 0.00 +0.210 HD ENDBRANCH 25 30 ENDBRANCH 5 23 BRANCH 2 32 ATOM 32 C LIG 1 0.641 -3.685 -0.883 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -0.401 -4.767 -0.912 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -1.021 -5.200 0.044 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -0.638 -5.237 -2.151 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -1.314 -5.934 -2.016 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 8