REMARK Name = BDB001085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.543 -0.859 -2.094 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.004 -2.064 -1.653 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.317 -2.286 -1.692 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.836 -3.072 -1.174 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.219 -2.879 -1.151 0.00 0.00 +0.010 A ATOM 6 C LIG 1 3.782 -1.676 -1.608 0.00 0.00 -0.010 A ATOM 7 C LIG 1 2.932 -0.672 -2.096 0.00 0.00 +0.023 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 -3.490 2.518 0.495 0.00 0.00 +0.256 C ATOM 9 N LIG 1 -2.464 2.059 -0.327 0.00 0.00 -0.295 N ATOM 10 C LIG 1 -1.194 1.666 0.293 0.00 0.00 +0.127 C ATOM 11 C LIG 1 -0.526 0.486 -0.428 0.00 0.00 +0.127 C ATOM 12 N LIG 1 -0.343 0.733 -1.867 0.00 0.00 -0.294 N ATOM 13 C LIG 1 0.688 0.211 -2.639 0.00 0.00 +0.249 C ATOM 14 O LIG 1 0.957 0.627 -3.765 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -1.220 1.733 -2.477 0.00 0.00 +0.127 C ATOM 16 C LIG 1 -2.580 1.838 -1.775 0.00 0.00 +0.127 C ATOM 17 O LIG 1 -3.310 2.675 1.706 0.00 0.00 -0.272 OA BRANCH 8 19 ATOM 18 C LIG 1 -4.852 4.319 -0.561 0.00 0.00 +0.062 C ATOM 19 C LIG 1 -4.855 2.847 -0.157 0.00 0.00 +0.256 C BRANCH 19 20 ATOM 20 O LIG 1 -5.962 2.671 0.738 0.00 0.00 -0.480 OA BRANCH 20 21 ATOM 21 C LIG 1 -6.332 1.356 0.815 0.00 0.00 +0.122 A ATOM 22 C LIG 1 -5.929 0.607 1.917 0.00 0.00 +0.045 A ATOM 23 C LIG 1 -6.318 -0.728 2.021 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -7.121 -1.300 1.034 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -7.546 -0.535 -0.053 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -7.158 0.800 -0.160 0.00 0.00 +0.045 A ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 8 19 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 C LIG 1 5.281 -1.479 -1.629 0.00 0.00 +0.264 C BRANCH 27 28 ATOM 28 O LIG 1 5.928 -1.980 -0.454 0.00 0.00 -0.487 OA BRANCH 28 29 ATOM 29 C LIG 1 5.770 -1.319 0.739 0.00 0.00 +0.133 A ATOM 30 C LIG 1 6.086 -2.016 1.925 0.00 0.00 +0.078 A ATOM 31 C LIG 1 5.940 -1.367 3.166 0.00 0.00 +0.017 A ATOM 32 C LIG 1 5.496 -0.048 3.238 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.195 0.640 2.070 0.00 0.00 +0.004 A ATOM 34 C LIG 1 5.334 0.012 0.829 0.00 0.00 +0.046 A BRANCH 30 35 ATOM 35 C LIG 1 6.567 -3.434 1.985 0.00 0.00 +0.245 C ATOM 36 O LIG 1 6.752 -4.009 3.054 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 6.816 -4.089 0.814 0.00 0.00 -0.325 N ATOM 38 H LIG 1 6.775 -3.606 -0.075 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 7.228 -5.011 0.866 0.00 0.00 +0.145 HD ENDBRANCH 30 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 8