REMARK Name = BDB065278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.350 0.816 -0.470 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -1.518 0.226 -0.022 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.398 -1.106 -0.402 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.424 -2.018 -0.111 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -3.563 -1.565 0.568 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -3.663 -0.220 0.946 0.00 0.00 +0.011 A ATOM 7 N LIG 1 -0.212 -1.328 -1.040 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 -2.647 0.701 0.658 0.00 0.00 +0.028 A ATOM 9 C LIG 1 0.423 -0.172 -1.063 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.623 -2.497 0.891 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.938 -2.367 0.499 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -6.695 -1.382 -0.297 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -6.652 -3.422 0.975 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -5.817 -4.273 1.674 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -4.599 -3.719 1.614 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -3.449 -4.386 2.268 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 1.802 0.050 -1.639 0.00 0.00 +0.151 C ATOM 18 N LIG 1 2.524 -1.204 -1.792 0.00 0.00 -0.259 N ATOM 19 C LIG 1 2.408 -1.673 -3.115 0.00 0.00 +0.255 C ATOM 20 O LIG 1 2.830 -2.711 -3.606 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 1.653 -0.629 -3.917 0.00 0.00 +0.254 C ATOM 22 F LIG 1 0.347 -0.944 -4.125 0.00 0.00 -0.236 F ATOM 23 C LIG 1 1.743 0.612 -3.053 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 3.184 -1.865 -0.713 0.00 0.00 +0.038 A ATOM 25 C LIG 1 3.099 -1.360 0.600 0.00 0.00 +0.031 A ATOM 26 C LIG 1 3.767 -2.009 1.629 0.00 0.00 -0.001 A ATOM 27 C LIG 1 3.769 -1.723 3.081 0.00 0.00 +0.080 C ATOM 28 C LIG 1 4.916 -2.641 3.506 0.00 0.00 +0.234 C ATOM 29 O LIG 1 5.088 -3.678 2.512 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 4.508 -3.149 1.391 0.00 0.00 +0.124 A ATOM 31 C LIG 1 4.609 -3.687 0.130 0.00 0.00 +0.048 A ATOM 32 C LIG 1 3.947 -3.036 -0.920 0.00 0.00 +0.027 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 36 ATOM 33 C LIG 1 0.415 4.982 0.093 0.00 0.00 +0.118 C ATOM 34 C LIG 1 0.784 4.061 1.267 0.00 0.00 +0.033 C ATOM 35 C LIG 1 0.232 2.634 1.135 0.00 0.00 +0.027 C ATOM 36 C LIG 1 0.016 2.224 -0.327 0.00 0.00 +0.089 C ATOM 37 C LIG 1 -0.941 3.178 -1.071 0.00 0.00 +0.027 C ATOM 38 C LIG 1 -0.948 4.593 -0.481 0.00 0.00 +0.033 C BRANCH 33 40 ATOM 39 C LIG 1 1.507 5.922 -1.809 0.00 0.00 +0.194 C ATOM 40 O LIG 1 1.438 4.829 -0.901 0.00 0.00 -0.380 OA ENDBRANCH 33 40 ENDBRANCH 1 36 TORSDOF 5