REMARK Name = BDB025783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.676 -0.387 -0.894 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.981 0.687 -0.288 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.381 0.575 0.011 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.094 -0.607 -0.270 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.384 -1.661 -0.864 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.999 -2.821 -1.142 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.974 -1.562 -1.172 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.529 -0.717 0.055 0.00 0.00 -0.015 A ATOM 9 C LIG 1 3.454 -1.227 -0.865 0.00 0.00 +0.010 A ATOM 10 C LIG 1 4.820 -1.323 -0.555 0.00 0.00 +0.024 A ATOM 11 C LIG 1 5.324 -0.902 0.681 0.00 0.00 +0.030 A ATOM 12 C LIG 1 4.392 -0.407 1.604 0.00 0.00 +0.024 A ATOM 13 C LIG 1 3.026 -0.311 1.301 0.00 0.00 +0.010 A BRANCH 11 14 ATOM 14 N LIG 1 6.679 -0.985 1.040 0.00 0.00 -0.326 N ATOM 15 C LIG 1 7.576 -1.799 0.192 0.00 0.00 +0.133 C ATOM 16 C LIG 1 8.950 -1.934 0.867 0.00 0.00 +0.178 C ATOM 17 O LIG 1 9.536 -0.648 1.122 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 8.683 0.115 1.990 0.00 0.00 +0.178 C ATOM 19 C LIG 1 7.287 0.326 1.380 0.00 0.00 +0.133 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -5.138 -1.394 -0.821 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -3.886 -0.866 -0.080 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -3.062 -0.234 -1.150 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -3.543 -0.726 -2.459 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -4.527 -1.851 -2.147 0.00 0.00 +0.039 C BRANCH 20 26 ATOM 25 C LIG 1 -5.342 -3.631 0.216 0.00 0.00 +0.104 C ATOM 26 N LIG 1 -5.982 -2.352 -0.087 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -7.252 -2.583 -0.779 0.00 0.00 +0.104 C ENDBRANCH 20 26 ENDBRANCH 1 22 BRANCH 2 28 ATOM 28 N LIG 1 -1.750 1.845 -0.047 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.709 1.723 -0.363 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.379 3.001 0.599 0.00 0.00 +0.248 C ATOM 31 O LIG 1 -0.310 3.216 1.157 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.422 4.064 0.641 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -2.444 4.931 1.741 0.00 0.00 +0.033 A ATOM 34 C LIG 1 -3.404 5.939 1.810 0.00 0.00 +0.043 A ATOM 35 CL LIG 1 -3.437 6.994 3.169 0.00 0.00 -0.083 Cl ATOM 36 C LIG 1 -4.339 6.100 0.791 0.00 0.00 +0.040 A ATOM 37 C LIG 1 -4.302 5.246 -0.309 0.00 0.00 +0.043 A ATOM 38 CL LIG 1 -5.444 5.447 -1.581 0.00 0.00 -0.083 Cl ATOM 39 C LIG 1 -3.349 4.232 -0.396 0.00 0.00 +0.033 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6