REMARK Name = BDB048922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.544 1.707 -0.863 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -1.572 0.850 -0.437 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -2.727 0.659 -1.212 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.835 1.338 -2.434 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -1.817 2.186 -2.871 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.675 2.368 -2.091 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.795 -0.244 -0.756 0.00 0.00 -0.007 A ATOM 8 C LIG 1 -4.959 0.218 -0.085 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -5.929 -0.742 0.300 0.00 0.00 +0.083 A ATOM 10 C LIG 1 -7.081 -0.312 0.958 0.00 0.00 +0.081 A ATOM 11 C LIG 1 -7.285 1.051 1.244 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -6.340 1.995 0.875 0.00 0.00 +0.001 A ATOM 13 N LIG 1 -5.766 -2.051 0.047 0.00 0.00 -0.254 NA ATOM 14 C LIG 1 -4.650 -2.464 -0.584 0.00 0.00 +0.112 A ATOM 15 C LIG 1 -5.187 1.582 0.217 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -3.651 -1.613 -1.000 0.00 0.00 +0.029 A BRANCH 10 17 ATOM 17 C LIG 1 -8.114 -1.328 1.365 0.00 0.00 +0.419 C ATOM 18 F LIG 1 -8.658 -2.011 0.319 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -9.186 -0.755 1.998 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -7.653 -2.260 2.246 0.00 0.00 -0.166 F ENDBRANCH 10 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 0.698 1.879 -0.018 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 N LIG 1 1.514 0.679 -0.129 0.00 0.00 -0.339 N ATOM 23 H LIG 1 1.563 0.362 -1.094 0.00 0.00 +0.146 HD BRANCH 22 27 ATOM 24 C LIG 1 5.833 -1.625 0.462 0.00 0.00 -0.029 A ATOM 25 C LIG 1 4.957 -0.546 0.784 0.00 0.00 -0.012 A ATOM 26 C LIG 1 3.667 -0.477 0.180 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.790 0.620 0.472 0.00 0.00 +0.035 A ATOM 28 C LIG 1 3.184 1.559 1.436 0.00 0.00 +0.023 A ATOM 29 C LIG 1 4.437 1.493 2.032 0.00 0.00 +0.002 A ATOM 30 C LIG 1 3.299 -1.525 -0.697 0.00 0.00 +0.010 A ATOM 31 C LIG 1 4.160 -2.574 -1.009 0.00 0.00 +0.001 A ATOM 32 C LIG 1 5.313 0.466 1.699 0.00 0.00 +0.009 A ATOM 33 C LIG 1 5.423 -2.619 -0.441 0.00 0.00 +0.005 A BRANCH 24 34 ATOM 34 C LIG 1 7.226 -1.752 1.053 0.00 0.00 +0.156 C BRANCH 34 36 ATOM 35 O LIG 1 8.204 -0.305 -0.677 0.00 0.00 -0.251 OA ATOM 36 C LIG 1 8.236 -0.823 0.426 0.00 0.00 +0.309 C BRANCH 36 37 ATOM 37 O LIG 1 9.304 -0.625 1.230 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 9.883 -0.035 0.701 0.00 0.00 +0.295 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 8