REMARK Name = BDB046214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.990 0.584 -3.616 0.00 0.00 +0.069 C ATOM 2 C LIG 1 -1.674 0.279 -2.343 0.00 0.00 +0.081 A ATOM 3 C LIG 1 -1.138 -0.117 -1.135 0.00 0.00 +0.139 A ATOM 4 O LIG 1 -2.172 -0.269 -0.250 0.00 0.00 -0.439 OA ATOM 5 C LIG 1 -3.290 0.056 -0.974 0.00 0.00 +0.228 A ATOM 6 N LIG 1 -3.042 0.380 -2.229 0.00 0.00 -0.214 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.571 -0.009 -0.275 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -5.754 0.283 -0.969 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -6.997 0.230 -0.329 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -7.084 -0.110 1.028 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -5.904 -0.411 1.725 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -4.663 -0.357 1.081 0.00 0.00 +0.014 A BRANCH 10 13 ATOM 13 C LIG 1 -8.425 -0.191 1.716 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -8.362 0.105 3.045 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -8.973 -1.435 1.637 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -9.349 0.660 1.190 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 3 17 ATOM 17 C LIG 1 0.226 -0.406 -0.643 0.00 0.00 +0.150 C BRANCH 17 18 ATOM 18 S LIG 1 1.133 1.142 -0.318 0.00 0.00 -0.117 S BRANCH 18 19 ATOM 19 C LIG 1 2.744 0.477 0.054 0.00 0.00 +0.009 A ATOM 20 C LIG 1 2.945 -0.416 1.107 0.00 0.00 +0.018 A ATOM 21 C LIG 1 4.224 -0.912 1.373 0.00 0.00 +0.047 A ATOM 22 C LIG 1 5.319 -0.521 0.599 0.00 0.00 +0.121 A ATOM 23 C LIG 1 5.124 0.387 -0.441 0.00 0.00 +0.047 A ATOM 24 C LIG 1 3.842 0.885 -0.708 0.00 0.00 +0.018 A BRANCH 22 25 ATOM 25 O LIG 1 6.505 -1.088 0.971 0.00 0.00 -0.481 OA BRANCH 25 26 ATOM 26 C LIG 1 7.664 -0.801 0.202 0.00 0.00 +0.349 C BRANCH 26 27 ATOM 27 C LIG 1 8.328 0.532 0.510 0.00 0.00 +0.343 C ATOM 28 O LIG 1 8.015 1.352 1.357 0.00 0.00 -0.247 OA BRANCH 27 29 ATOM 29 O LIG 1 9.391 0.765 -0.292 0.00 0.00 -0.478 OA ATOM 30 H LIG 1 9.729 1.633 0.018 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