REMARK Name = BDB063610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.758 2.142 -0.973 0.00 0.00 +0.153 C ENDROOT BRANCH 1 8 ATOM 2 C LIG 1 -2.375 -1.708 -1.761 0.00 0.00 +0.047 C ATOM 3 C LIG 1 -2.034 -0.475 -0.976 0.00 0.00 -0.008 A ATOM 4 C LIG 1 -2.835 -0.009 0.078 0.00 0.00 +0.128 A ATOM 5 C LIG 1 -2.428 1.086 0.859 0.00 0.00 -0.008 A ATOM 6 C LIG 1 -3.217 1.543 2.053 0.00 0.00 +0.047 C ATOM 7 C LIG 1 -1.272 1.791 0.493 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -0.502 1.392 -0.606 0.00 0.00 -0.029 A ATOM 9 C LIG 1 -0.883 0.249 -1.322 0.00 0.00 +0.012 A BRANCH 4 10 ATOM 10 O LIG 1 -3.975 -0.675 0.433 0.00 0.00 -0.475 OA BRANCH 10 11 ATOM 11 C LIG 1 -5.189 -0.346 -0.277 0.00 0.00 +0.200 C ATOM 12 C LIG 1 -6.272 -0.152 0.797 0.00 0.00 +0.067 C ATOM 13 C LIG 1 -5.159 0.913 -1.163 0.00 0.00 +0.067 C BRANCH 11 14 ATOM 14 C LIG 1 -5.615 -1.553 -1.128 0.00 0.00 +0.348 C ATOM 15 O LIG 1 -5.968 -1.537 -2.299 0.00 0.00 -0.247 OA BRANCH 14 16 ATOM 16 O LIG 1 -5.593 -2.729 -0.463 0.00 0.00 -0.478 OA ATOM 17 H LIG 1 -5.867 -3.390 -1.131 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 10 11 ENDBRANCH 4 10 ENDBRANCH 1 8 BRANCH 1 18 ATOM 18 N LIG 1 1.911 1.601 -0.292 0.00 0.00 -0.220 N ATOM 19 C LIG 1 2.713 0.615 -0.796 0.00 0.00 +0.316 C ATOM 20 O LIG 1 2.555 0.095 -1.892 0.00 0.00 -0.252 OA ATOM 21 N LIG 1 3.717 0.329 0.153 0.00 0.00 -0.246 N ATOM 22 C LIG 1 3.519 1.144 1.332 0.00 0.00 +0.211 C ATOM 23 C LIG 1 2.337 1.999 0.935 0.00 0.00 +0.241 C ATOM 24 O LIG 1 1.856 2.887 1.625 0.00 0.00 -0.273 OA BRANCH 21 25 ATOM 25 C LIG 1 4.890 -0.457 -0.085 0.00 0.00 +0.050 A ATOM 26 C LIG 1 5.673 -1.065 0.925 0.00 0.00 +0.076 A ATOM 27 C LIG 1 6.863 -1.749 0.564 0.00 0.00 +0.014 A ATOM 28 C LIG 1 7.269 -1.866 -0.761 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.492 -1.301 -1.755 0.00 0.00 +0.002 A ATOM 30 C LIG 1 5.325 -0.610 -1.419 0.00 0.00 +0.024 A BRANCH 26 31 ATOM 31 C LIG 1 5.303 -1.108 2.387 0.00 0.00 +0.419 C ATOM 32 F LIG 1 6.075 -1.958 3.126 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.022 -1.515 2.605 0.00 0.00 -0.166 F ATOM 34 F LIG 1 5.430 0.105 2.997 0.00 0.00 -0.166 F ENDBRANCH 26 31 ENDBRANCH 21 25 ENDBRANCH 1 18 TORSDOF 8