REMARK Name = BDB008060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.086 -0.546 0.068 0.00 0.00 +0.195 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.378 -0.651 -0.750 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -1.399 -0.215 0.150 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -2.073 0.603 1.130 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -3.417 0.675 0.767 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -4.367 1.415 1.484 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -3.929 2.099 2.620 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -2.603 2.039 3.029 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -5.060 3.024 3.533 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -1.671 1.293 2.296 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -3.574 -0.102 -0.348 0.00 0.00 -0.349 N ATOM 12 H LIG 1 -4.453 -0.264 -0.823 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C LIG 1 -2.259 -1.514 -1.905 0.00 0.00 +0.356 C ATOM 14 O LIG 1 -1.225 -2.008 -2.331 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O LIG 1 -3.490 -1.687 -2.468 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C LIG 1 -4.917 -2.637 -4.131 0.00 0.00 +0.048 C ATOM 17 C LIG 1 -3.492 -2.532 -3.625 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 1.054 0.555 0.596 0.00 0.00 +0.239 C ATOM 19 N LIG 1 0.838 1.815 0.052 0.00 0.00 -0.309 N ATOM 20 H LIG 1 -0.072 1.973 -0.364 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 2.000 0.311 1.344 0.00 0.00 -0.273 OA BRANCH 19 22 ATOM 22 C LIG 1 1.642 3.010 0.354 0.00 0.00 +0.026 C ATOM 23 C LIG 1 3.116 2.796 -0.031 0.00 0.00 +0.031 C ATOM 24 C LIG 1 1.534 3.392 1.837 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.093 4.174 -0.492 0.00 0.00 +0.031 C ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 26 ATOM 26 N LIG 1 0.369 -1.893 0.590 0.00 0.00 -0.284 N ATOM 27 C LIG 1 0.120 -2.203 1.914 0.00 0.00 +0.329 C ATOM 28 O LIG 1 -0.403 -1.482 2.752 0.00 0.00 -0.279 OA BRANCH 26 29 ATOM 29 C LIG 1 1.246 -2.764 -0.186 0.00 0.00 +0.149 C BRANCH 29 30 ATOM 30 C LIG 1 2.703 -2.420 -0.054 0.00 0.00 +0.043 A ATOM 31 C LIG 1 3.465 -2.913 1.009 0.00 0.00 +0.169 A ATOM 32 F LIG 1 2.905 -3.756 1.889 0.00 0.00 -0.202 F ATOM 33 C LIG 1 4.801 -2.557 1.161 0.00 0.00 +0.194 A ATOM 34 F LIG 1 5.518 -3.055 2.178 0.00 0.00 -0.199 F ATOM 35 C LIG 1 5.393 -1.697 0.245 0.00 0.00 +0.164 A ATOM 36 F LIG 1 6.681 -1.355 0.377 0.00 0.00 -0.202 F ATOM 37 C LIG 1 4.663 -1.194 -0.824 0.00 0.00 +0.080 A ATOM 38 C LIG 1 3.328 -1.560 -0.963 0.00 0.00 +0.134 A ATOM 39 F LIG 1 2.629 -1.060 -1.992 0.00 0.00 -0.205 F ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 9