REMARK Name = BDB002678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.162 1.377 -0.660 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -0.498 0.071 -0.286 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.711 -0.187 0.357 0.00 0.00 +0.126 A ATOM 4 C LIG 1 -2.598 0.864 0.617 0.00 0.00 +0.091 A ATOM 5 C LIG 1 -2.291 2.162 0.217 0.00 0.00 +0.126 A ATOM 6 C LIG 1 -1.078 2.409 -0.430 0.00 0.00 +0.069 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 2.950 1.349 -2.410 0.00 0.00 -0.252 OA ATOM 8 C LIG 1 2.209 1.029 -1.484 0.00 0.00 +0.308 C ATOM 9 N LIG 1 1.032 1.715 -1.325 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.024 2.570 -1.871 0.00 0.00 +0.156 HD ATOM 11 N LIG 1 2.484 0.091 -0.524 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.002 0.243 0.350 0.00 0.00 +0.156 HD BRANCH 11 13 ATOM 13 C LIG 1 3.545 -0.834 -0.508 0.00 0.00 +0.035 A ATOM 14 C LIG 1 3.775 -1.527 0.689 0.00 0.00 +0.026 A ATOM 15 C LIG 1 4.798 -2.475 0.773 0.00 0.00 +0.040 A ATOM 16 C LIG 1 5.586 -2.732 -0.341 0.00 0.00 +0.124 A ATOM 17 F LIG 1 6.565 -3.642 -0.262 0.00 0.00 -0.205 F ATOM 18 C LIG 1 5.367 -2.062 -1.537 0.00 0.00 +0.040 A ATOM 19 C LIG 1 4.343 -1.113 -1.622 0.00 0.00 +0.026 A ENDBRANCH 11 13 ENDBRANCH 1 9 BRANCH 3 20 ATOM 20 O LIG 1 -2.153 -1.413 0.775 0.00 0.00 -0.483 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.353 -2.555 0.443 0.00 0.00 +0.342 C BRANCH 21 22 ATOM 22 C LIG 1 -2.011 -3.830 0.950 0.00 0.00 +0.424 C ATOM 23 F LIG 1 -3.231 -4.019 0.400 0.00 0.00 -0.167 F ATOM 24 F LIG 1 -2.153 -3.817 2.293 0.00 0.00 -0.167 F ATOM 25 F LIG 1 -1.253 -4.907 0.634 0.00 0.00 -0.167 F ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 3 20 BRANCH 5 26 ATOM 26 O LIG 1 -3.076 3.267 0.395 0.00 0.00 -0.483 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.347 3.077 1.029 0.00 0.00 +0.342 C BRANCH 27 28 ATOM 28 C LIG 1 -5.092 4.398 1.135 0.00 0.00 +0.424 C ATOM 29 F LIG 1 -6.292 4.213 1.735 0.00 0.00 -0.167 F ATOM 30 F LIG 1 -5.329 4.941 -0.079 0.00 0.00 -0.167 F ATOM 31 F LIG 1 -4.410 5.301 1.873 0.00 0.00 -0.167 F ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 8