REMARK Name = BDB037464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.942 -2.148 -0.216 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.613 -0.935 -0.451 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.987 0.265 -0.729 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.000 1.119 -1.228 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.196 0.498 -1.203 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.485 0.443 -0.626 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.165 -0.900 -0.943 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.974 -0.637 -0.482 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.463 -2.143 -0.334 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.149 -3.137 -0.057 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.726 1.033 0.762 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.053 2.400 0.863 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.289 2.997 2.103 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.204 2.232 3.256 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.433 2.799 4.447 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.886 0.882 3.191 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.648 0.283 1.951 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.071 -1.221 0.201 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.356 -1.135 -0.354 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.446 -1.682 0.325 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.263 -2.289 1.567 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.993 -2.336 2.141 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.899 -1.793 1.465 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -1.877 2.485 -1.763 0.00 0.00 +0.265 C ATOM 25 N LIG 1 -3.077 3.007 -2.195 0.00 0.00 -0.295 N ATOM 26 H LIG 1 -3.890 2.453 -1.937 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -0.820 3.103 -1.816 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -3.223 4.420 -2.494 0.00 0.00 +0.173 C ATOM 29 C LIG 1 -4.334 4.618 -3.521 0.00 0.00 +0.044 C BRANCH 28 30 ATOM 30 C LIG 1 -3.517 5.197 -1.269 0.00 0.00 +0.085 C ATOM 31 N LIG 1 -3.772 5.800 -0.310 0.00 0.00 -0.195 NA ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 32 ATOM 32 N LIG 1 2.588 -0.950 -0.591 0.00 0.00 -0.299 N ATOM 33 H LIG 1 2.892 -1.792 -0.111 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 3.516 -0.187 -1.260 0.00 0.00 +0.245 C ATOM 35 O LIG 1 3.215 0.604 -2.145 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 4.940 -0.392 -0.879 0.00 0.00 +0.037 A ATOM 37 C LIG 1 5.309 -0.826 0.402 0.00 0.00 +0.025 A ATOM 38 C LIG 1 6.664 -1.005 0.732 0.00 0.00 +0.056 A ATOM 39 C LIG 1 7.643 -0.722 -0.235 0.00 0.00 +0.012 A ATOM 40 C LIG 1 7.278 -0.275 -1.505 0.00 0.00 +0.001 A ATOM 41 C LIG 1 5.931 -0.106 -1.825 0.00 0.00 +0.013 A BRANCH 38 42 ATOM 42 C LIG 1 7.065 -1.449 2.118 0.00 0.00 +0.417 C ATOM 43 F LIG 1 8.194 -2.212 2.126 0.00 0.00 -0.166 F ATOM 44 F LIG 1 7.313 -0.400 2.947 0.00 0.00 -0.166 F ATOM 45 F LIG 1 6.107 -2.197 2.734 0.00 0.00 -0.166 F ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 7 32 BRANCH 1 47 ATOM 46 C LIG 1 -1.366 -4.135 1.260 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -1.577 -3.463 -0.092 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 9