REMARK Name = BDB019695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.366 -0.745 -1.747 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.768 0.500 -1.369 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -2.047 0.645 -0.945 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -2.931 -0.437 -0.909 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.502 -1.716 -1.299 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -1.185 -1.865 -1.733 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.430 2.017 -0.544 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.414 2.265 0.433 0.00 0.00 +0.026 A ATOM 9 C LIG 1 -3.776 3.574 0.805 0.00 0.00 +0.072 A ATOM 10 C LIG 1 -3.135 4.651 0.197 0.00 0.00 +0.136 A ATOM 11 F LIG 1 -3.442 5.918 0.516 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -2.154 4.440 -0.765 0.00 0.00 +0.040 A ATOM 13 C LIG 1 -1.807 3.136 -1.130 0.00 0.00 +0.013 A BRANCH 9 14 ATOM 14 C LIG 1 -4.838 3.741 1.830 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -5.449 2.774 2.272 0.00 0.00 -0.270 OA ATOM 16 N LIG 1 -5.126 5.000 2.269 0.00 0.00 -0.325 N ATOM 17 H LIG 1 -4.658 5.829 1.923 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -5.853 5.107 2.964 0.00 0.00 +0.145 HD ENDBRANCH 9 14 ENDBRANCH 3 7 BRANCH 1 21 ATOM 19 N LIG 1 1.770 0.310 -2.143 0.00 0.00 -0.304 N ATOM 20 H LIG 1 1.296 1.074 -1.668 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.061 -0.871 -2.187 0.00 0.00 +0.263 C ATOM 22 O LIG 1 1.527 -1.950 -2.536 0.00 0.00 -0.269 OA BRANCH 19 23 ATOM 23 C LIG 1 3.215 0.352 -2.256 0.00 0.00 +0.101 C ATOM 24 C LIG 1 3.647 1.614 -3.004 0.00 0.00 +0.033 C BRANCH 23 27 ATOM 25 C LIG 1 4.737 -1.251 0.856 0.00 0.00 +0.124 A ATOM 26 C LIG 1 4.198 -1.072 -0.418 0.00 0.00 +0.051 A ATOM 27 C LIG 1 3.834 0.208 -0.875 0.00 0.00 -0.021 A ATOM 28 C LIG 1 4.001 1.298 -0.009 0.00 0.00 +0.051 A ATOM 29 C LIG 1 4.543 1.131 1.269 0.00 0.00 +0.124 A ATOM 30 C LIG 1 4.913 -0.144 1.693 0.00 0.00 +0.091 A BRANCH 25 32 ATOM 31 C LIG 1 4.910 -3.611 0.616 0.00 0.00 +0.277 C ATOM 32 O LIG 1 5.127 -2.445 1.402 0.00 0.00 -0.495 OA ENDBRANCH 25 32 BRANCH 29 33 ATOM 33 O LIG 1 4.653 2.285 1.996 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 5.171 2.164 3.315 0.00 0.00 +0.277 C ENDBRANCH 29 33 ENDBRANCH 23 27 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 5 35 ATOM 35 C LIG 1 -3.437 -2.898 -1.266 0.00 0.00 +0.158 C BRANCH 35 36 ATOM 36 N LIG 1 -3.879 -3.211 0.084 0.00 0.00 -0.330 N ATOM 37 C LIG 1 -3.176 -3.890 1.055 0.00 0.00 +0.107 A ATOM 38 C LIG 1 -1.788 -4.391 0.890 0.00 0.00 +0.086 C ATOM 39 N LIG 1 -3.906 -4.019 2.145 0.00 0.00 -0.241 NA ATOM 40 C LIG 1 -5.105 -3.418 1.873 0.00 0.00 +0.130 A ATOM 41 C LIG 1 -5.116 -2.918 0.595 0.00 0.00 +0.107 A ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9