REMARK Name = BDB046210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.306 -3.094 0.360 0.00 0.00 +0.069 C ATOM 2 C LIG 1 -1.828 -1.764 -0.016 0.00 0.00 +0.083 A ATOM 3 C LIG 1 -1.141 -0.637 -0.415 0.00 0.00 +0.166 A ATOM 4 O LIG 1 -2.060 0.348 -0.656 0.00 0.00 -0.437 OA ATOM 5 C LIG 1 -3.268 -0.237 -0.378 0.00 0.00 +0.228 A ATOM 6 N LIG 1 -3.179 -1.498 -0.000 0.00 0.00 -0.214 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.460 0.593 -0.544 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -5.725 0.045 -0.287 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -6.885 0.811 -0.439 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -6.807 2.146 -0.861 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -5.543 2.700 -1.110 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -4.384 1.931 -0.956 0.00 0.00 +0.014 A BRANCH 10 13 ATOM 13 C LIG 1 -8.054 2.983 -1.006 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -8.346 3.678 0.127 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -9.165 2.247 -1.291 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -7.960 3.910 -2.001 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 3 17 ATOM 17 C LIG 1 0.284 -0.304 -0.642 0.00 0.00 +0.305 C BRANCH 17 18 ATOM 18 O LIG 1 1.023 -0.875 0.437 0.00 0.00 -0.484 OA BRANCH 18 19 ATOM 19 C LIG 1 2.381 -0.731 0.408 0.00 0.00 +0.121 A ATOM 20 C LIG 1 3.119 -0.052 -0.561 0.00 0.00 +0.049 A ATOM 21 C LIG 1 4.517 0.019 -0.469 0.00 0.00 +0.049 A ATOM 22 C LIG 1 5.186 -0.591 0.593 0.00 0.00 +0.122 A ATOM 23 C LIG 1 4.445 -1.266 1.562 0.00 0.00 +0.049 A ATOM 24 C LIG 1 3.053 -1.336 1.471 0.00 0.00 +0.049 A BRANCH 22 25 ATOM 25 O LIG 1 6.536 -0.596 0.800 0.00 0.00 -0.481 OA BRANCH 25 26 ATOM 26 C LIG 1 7.347 0.032 -0.184 0.00 0.00 +0.349 C BRANCH 26 27 ATOM 27 C LIG 1 8.822 -0.085 0.149 0.00 0.00 +0.343 C ATOM 28 O LIG 1 9.685 0.723 -0.162 0.00 0.00 -0.247 OA BRANCH 27 29 ATOM 29 O LIG 1 9.163 -1.222 0.787 0.00 0.00 -0.478 OA ATOM 30 H LIG 1 10.130 -1.148 0.921 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 9