REMARK Name = BDB062509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.890 -1.336 0.034 0.00 0.00 +0.125 A ATOM 2 C LIG 1 1.937 -2.719 -0.136 0.00 0.00 +0.091 A ATOM 3 C LIG 1 0.757 -3.470 -0.184 0.00 0.00 +0.125 A ATOM 4 C LIG 1 -0.477 -2.828 -0.067 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.542 -1.436 0.087 0.00 0.00 -0.018 A ATOM 6 C LIG 1 0.650 -0.703 0.149 0.00 0.00 +0.053 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.858 -0.798 0.237 0.00 0.00 +0.009 C ATOM 8 C LIG 1 -2.179 0.381 -0.321 0.00 0.00 +0.008 C BRANCH 8 9 ATOM 9 C LIG 1 -3.491 1.026 -0.171 0.00 0.00 -0.025 A ATOM 10 C LIG 1 -3.550 2.418 -0.053 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -4.782 3.068 0.064 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -5.975 2.342 0.055 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -5.925 0.956 -0.080 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -4.690 0.304 -0.197 0.00 0.00 +0.011 A BRANCH 12 15 ATOM 15 O LIG 1 -7.105 3.102 0.177 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 -8.355 2.413 0.194 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 -9.495 3.382 0.347 0.00 0.00 +0.027 C ATOM 18 C LIG 1 -9.470 4.747 -0.296 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -9.378 4.620 1.202 0.00 0.00 +0.007 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 7 BRANCH 1 20 ATOM 20 O LIG 1 2.967 -0.495 0.106 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 4.261 -1.088 0.015 0.00 0.00 +0.264 C BRANCH 21 26 ATOM 22 C LIG 1 7.234 2.060 0.212 0.00 0.00 +0.156 A ATOM 23 C LIG 1 7.249 0.997 1.120 0.00 0.00 +0.165 A ATOM 24 F LIG 1 8.200 0.943 2.066 0.00 0.00 -0.202 F ATOM 25 C LIG 1 6.298 -0.019 1.071 0.00 0.00 +0.049 A ATOM 26 C LIG 1 5.295 0.010 0.096 0.00 0.00 -0.007 A ATOM 27 C LIG 1 5.280 1.072 -0.822 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.239 2.092 -0.765 0.00 0.00 +0.049 A BRANCH 22 29 ATOM 29 O LIG 1 8.226 2.988 0.376 0.00 0.00 -0.478 OA BRANCH 29 30 ATOM 30 C LIG 1 8.228 4.106 -0.513 0.00 0.00 +0.349 C BRANCH 30 32 ATOM 31 O LIG 1 9.661 6.047 -0.732 0.00 0.00 -0.247 OA ATOM 32 C LIG 1 9.389 5.012 -0.141 0.00 0.00 +0.343 C BRANCH 32 33 ATOM 33 O LIG 1 10.106 4.565 0.919 0.00 0.00 -0.478 OA ATOM 34 H LIG 1 9.725 3.719 1.246 0.00 0.00 +0.295 HD ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 22 29 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 3 35 ATOM 35 O LIG 1 0.953 -4.815 -0.347 0.00 0.00 -0.492 OA BRANCH 35 36 ATOM 36 C LIG 1 -0.207 -5.645 -0.402 0.00 0.00 +0.232 C BRANCH 36 37 ATOM 37 C LIG 1 0.178 -7.088 -0.577 0.00 0.00 +0.027 C ATOM 38 C LIG 1 1.357 -7.499 -1.423 0.00 0.00 +0.007 C ATOM 39 C LIG 1 1.410 -7.666 0.073 0.00 0.00 +0.007 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 3 35 TORSDOF 15