REMARK Name = BDB008791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.463 -1.054 0.402 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.299 -0.509 -0.131 0.00 0.00 -0.314 N ATOM 3 C LIG 1 -0.778 -1.090 0.513 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.205 -2.028 1.349 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.895 -2.870 2.128 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.219 -2.715 2.001 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.868 -1.825 1.212 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.164 -0.964 0.456 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.153 -1.994 1.282 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 6.776 0.643 -0.914 0.00 0.00 +0.045 C ATOM 11 C LIG 1 5.439 0.094 -0.516 0.00 0.00 -0.029 A ATOM 12 C LIG 1 5.236 -1.149 0.107 0.00 0.00 -0.038 A ATOM 13 C LIG 1 3.908 -1.516 0.406 0.00 0.00 +0.035 A ATOM 14 C LIG 1 2.846 -0.684 0.064 0.00 0.00 +0.107 A ATOM 15 N LIG 1 3.030 0.502 -0.547 0.00 0.00 -0.252 NA ATOM 16 C LIG 1 4.306 0.855 -0.822 0.00 0.00 +0.115 A BRANCH 12 17 ATOM 17 C LIG 1 6.326 -2.130 0.522 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.332 -2.477 -0.577 0.00 0.00 +0.012 C ATOM 19 C LIG 1 7.026 -1.685 1.808 0.00 0.00 +0.012 C ENDBRANCH 12 17 ENDBRANCH 1 14 BRANCH 6 20 ATOM 20 C LIG 1 -3.064 -3.631 2.848 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -2.669 -4.526 3.579 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -4.392 -3.386 2.755 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -4.793 -4.050 3.351 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.787 -0.001 -0.320 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.323 0.895 -0.203 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.248 0.155 -0.362 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.828 0.565 0.988 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.959 -1.023 -1.039 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -6.424 -0.776 -1.510 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.672 -2.281 -1.289 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -5.529 -2.243 -0.255 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.203 0.367 -1.295 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.078 1.817 -0.961 0.00 0.00 -0.025 A ATOM 34 C LIG 1 -0.860 2.577 -1.844 0.00 0.00 +0.047 A ATOM 35 C LIG 1 -1.131 3.923 -1.586 0.00 0.00 +0.165 A ATOM 36 F LIG 1 -1.896 4.575 -2.470 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -0.624 4.556 -0.453 0.00 0.00 +0.165 A ATOM 38 C LIG 1 0.173 3.808 0.418 0.00 0.00 +0.049 A ATOM 39 C LIG 1 0.450 2.458 0.167 0.00 0.00 +0.009 A BRANCH 37 40 ATOM 40 O LIG 1 -0.804 5.853 -0.070 0.00 0.00 -0.403 OA BRANCH 40 41 ATOM 41 C LIG 1 -1.611 6.689 -0.884 0.00 0.00 +0.575 C ATOM 42 F LIG 1 -1.661 7.912 -0.308 0.00 0.00 -0.133 F ATOM 43 F LIG 1 -2.873 6.221 -0.964 0.00 0.00 -0.133 F ATOM 44 F LIG 1 -1.077 6.837 -2.114 0.00 0.00 -0.133 F ENDBRANCH 40 41 ENDBRANCH 37 40 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11