REMARK Name = BDB035811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.875 1.929 -0.541 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.195 0.973 0.220 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.598 -0.013 0.811 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.218 1.370 0.241 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.287 0.727 0.840 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.555 1.310 0.715 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.701 2.514 -0.017 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.602 3.158 -0.617 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.356 2.556 -0.471 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.021 2.990 -0.985 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.465 0.788 -0.826 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.075 0.820 -0.572 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.261 1.929 -0.853 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.862 3.040 -1.454 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.231 3.051 -1.724 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.016 1.945 -1.405 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.036 -2.446 -1.130 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.297 -1.009 -1.627 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.375 -0.482 -0.468 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.735 -1.910 -0.491 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.177 -0.206 0.877 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.671 0.019 2.129 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.296 0.071 2.544 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.749 0.198 2.942 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.853 0.087 2.241 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.494 -0.166 0.939 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.036 -3.912 -2.779 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.850 -3.455 -2.145 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.763 4.432 -1.400 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.013 4.963 -1.346 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.478 4.263 -2.720 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.920 5.410 -0.965 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.769 0.646 1.326 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.589 0.045 0.281 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.059 -0.677 -0.205 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.869 -0.493 0.761 0.00 0.00 +0.054 C ATOM 37 C LIG 1 7.745 -0.720 -0.472 0.00 0.00 +0.024 C BRANCH 36 38 ATOM 38 C LIG 1 6.679 -1.767 1.606 0.00 0.00 +0.006 C ATOM 39 C LIG 1 7.933 -2.572 2.042 0.00 0.00 +0.005 C ATOM 40 C LIG 1 7.583 -3.631 0.984 0.00 0.00 +0.001 C ATOM 41 C LIG 1 6.151 -3.071 0.950 0.00 0.00 +0.005 C ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9