REMARK Name = BDB041660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.215 2.526 -0.801 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.367 2.077 -0.126 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.552 0.774 0.304 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -2.916 0.696 0.626 0.00 0.00 +0.141 A ATOM 5 N LIG 1 -3.547 1.853 0.430 0.00 0.00 -0.173 NA ATOM 6 C LIG 1 -0.455 -0.236 0.229 0.00 0.00 +0.085 C ATOM 7 C LIG 1 0.889 0.531 0.272 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.552 2.749 0.175 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.864 1.613 -0.843 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.756 1.664 -1.696 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.721 -1.270 1.317 0.00 0.00 -0.016 A ATOM 12 C LIG 1 -1.471 -2.455 1.076 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -1.633 -3.383 2.116 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -1.096 -3.155 3.383 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -0.392 -1.990 3.636 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -0.211 -1.057 2.617 0.00 0.00 +0.006 A BRANCH 12 17 ATOM 17 N LIG 1 -2.070 -2.667 -0.192 0.00 0.00 -0.285 N ATOM 18 H LIG 1 -2.005 -1.924 -0.871 0.00 0.00 +0.155 HD ATOM 19 C LIG 1 -2.790 -3.761 -0.626 0.00 0.00 +0.224 C ATOM 20 O LIG 1 -3.038 -4.793 -0.021 0.00 0.00 -0.275 OA BRANCH 19 21 ATOM 21 C LIG 1 -3.284 -3.565 -2.007 0.00 0.00 +0.051 C ATOM 22 C LIG 1 -2.504 -3.752 -3.259 0.00 0.00 +0.021 C ATOM 23 C LIG 1 -3.495 -4.800 -2.895 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -4.629 -3.906 -2.533 0.00 0.00 +0.021 C ENDBRANCH 19 21 ENDBRANCH 12 17 ENDBRANCH 6 11 BRANCH 8 25 ATOM 25 C LIG 1 -2.804 4.135 0.361 0.00 0.00 +0.067 A ATOM 26 C LIG 1 -1.771 5.015 0.700 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -2.043 6.370 0.899 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -3.347 6.848 0.780 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.386 5.970 0.477 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -4.120 4.614 0.278 0.00 0.00 +0.028 A ENDBRANCH 8 25 BRANCH 7 31 ATOM 31 N LIG 1 2.046 -0.338 0.041 0.00 0.00 -0.299 N ATOM 32 H LIG 1 2.241 -0.584 -0.922 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 3.039 -0.473 0.984 0.00 0.00 +0.245 C ATOM 34 O LIG 1 2.938 -0.075 2.138 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 4.278 -1.165 0.543 0.00 0.00 +0.037 A ATOM 36 C LIG 1 4.951 -1.974 1.468 0.00 0.00 +0.025 A ATOM 37 C LIG 1 6.128 -2.648 1.104 0.00 0.00 +0.056 A ATOM 38 C LIG 1 6.630 -2.478 -0.196 0.00 0.00 +0.012 A ATOM 39 C LIG 1 5.970 -1.658 -1.113 0.00 0.00 +0.001 A ATOM 40 C LIG 1 4.797 -0.998 -0.746 0.00 0.00 +0.013 A BRANCH 37 41 ATOM 41 C LIG 1 6.857 -3.504 2.110 0.00 0.00 +0.417 C ATOM 42 F LIG 1 6.017 -4.182 2.940 0.00 0.00 -0.166 F ATOM 43 F LIG 1 7.675 -2.774 2.915 0.00 0.00 -0.166 F ATOM 44 F LIG 1 7.649 -4.451 1.531 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 33 35 ENDBRANCH 7 31 BRANCH 1 46 ATOM 45 C LIG 1 0.852 4.616 -1.679 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -0.244 3.569 -1.835 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 8