REMARK Name = BDB038920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.774 0.574 -0.095 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.683 -0.277 -0.054 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.322 0.250 0.008 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.236 -0.782 -0.166 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.530 -2.153 -0.343 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.501 -3.085 -0.525 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.157 -2.701 -0.511 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.870 -1.344 -0.316 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.306 -0.612 -0.245 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.038 0.717 -0.035 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.349 0.847 0.024 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.968 -2.605 -0.393 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.878 -0.402 -0.148 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.881 -1.653 0.373 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.936 0.208 0.043 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.890 1.897 0.133 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.689 1.832 1.437 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.538 3.087 1.648 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -3.298 3.547 0.392 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -3.195 2.559 -0.773 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.750 2.182 -1.109 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -2.839 4.918 -0.064 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -1.717 5.385 0.024 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.829 5.622 -0.649 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.400 6.466 -0.905 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 7.511 2.782 -0.357 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.415 1.870 -0.304 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.659 -1.161 -0.374 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.894 -1.774 -1.761 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.000 -2.115 0.791 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.466 -2.472 0.872 0.00 0.00 -0.040 A ATOM 32 C LIG 1 -3.935 -3.688 0.355 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -5.292 -4.002 0.421 0.00 0.00 +0.126 A ATOM 34 F LIG 1 -5.721 -5.167 -0.081 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -6.205 -3.128 0.994 0.00 0.00 +0.076 A ATOM 36 C LIG 1 -5.741 -1.927 1.508 0.00 0.00 +0.126 A ATOM 37 F LIG 1 -6.606 -1.069 2.065 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -4.388 -1.591 1.454 0.00 0.00 +0.042 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7