REMARK Name = BDB011820 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.070 0.481 -0.539 0.00 0.00 +0.251 C ATOM 2 N LIG 1 1.806 0.418 -1.153 0.00 0.00 -0.263 N ATOM 3 C LIG 1 1.045 -0.791 -1.195 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -0.364 -0.769 -1.090 0.00 0.00 +0.058 A ATOM 5 C LIG 1 -1.056 -1.987 -1.150 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.381 -3.202 -1.277 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.004 -3.221 -1.361 0.00 0.00 +0.002 A ATOM 8 N LIG 1 -1.103 0.448 -0.903 0.00 0.00 -0.264 N ATOM 9 C LIG 1 -0.816 1.616 -1.619 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -1.335 2.702 -1.348 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 0.169 1.481 -2.790 0.00 0.00 +0.177 C ATOM 12 C LIG 1 1.713 -2.022 -1.328 0.00 0.00 +0.025 A ATOM 13 C LIG 1 1.600 1.345 -2.269 0.00 0.00 +0.145 C ATOM 14 O LIG 1 3.999 1.152 -0.984 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 3.749 -1.593 3.165 0.00 0.00 +0.017 A ATOM 16 C LIG 1 4.773 -1.469 2.218 0.00 0.00 +0.012 A ATOM 17 C LIG 1 4.539 -0.788 1.018 0.00 0.00 +0.014 A ATOM 18 C LIG 1 3.279 -0.239 0.750 0.00 0.00 +0.037 A ATOM 19 C LIG 1 2.264 -0.335 1.709 0.00 0.00 +0.014 A ATOM 20 C LIG 1 2.497 -1.019 2.905 0.00 0.00 +0.012 A BRANCH 15 22 ATOM 21 C LIG 1 5.319 -2.796 4.829 0.00 0.00 +0.091 C ATOM 22 C LIG 1 3.940 -2.320 4.456 0.00 0.00 +0.160 C ATOM 23 O LIG 1 2.974 -2.526 5.186 0.00 0.00 -0.292 OA ENDBRANCH 15 22 ENDBRANCH 1 18 BRANCH 11 24 ATOM 24 N LIG 1 0.004 2.501 -3.838 0.00 0.00 -0.301 N ATOM 25 H LIG 1 -0.247 2.164 -4.760 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 0.259 3.837 -3.866 0.00 0.00 +0.230 C ATOM 27 O LIG 1 0.190 4.395 -4.967 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 0.663 4.621 -2.602 0.00 0.00 +0.135 C ATOM 29 C LIG 1 -0.338 5.745 -2.357 0.00 0.00 +0.033 C BRANCH 28 30 ATOM 30 N LIG 1 2.006 5.202 -2.812 0.00 0.00 -0.320 NA ATOM 31 H LIG 1 1.963 5.774 -3.660 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 2.667 4.457 -3.029 0.00 0.00 +0.119 HD ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 11 24 BRANCH 8 33 ATOM 33 C LIG 1 -1.897 0.596 0.334 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 -3.151 -0.258 0.464 0.00 0.00 -0.019 A ATOM 35 C LIG 1 -3.209 -1.350 1.400 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -4.408 -2.103 1.493 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -4.512 -3.180 2.391 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -3.444 -3.543 3.206 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -2.257 -2.833 3.132 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -5.502 -1.783 0.686 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -5.442 -0.728 -0.217 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -2.143 -1.758 2.244 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -4.284 0.047 -0.337 0.00 0.00 -0.045 A ATOM 44 C LIG 1 -4.293 1.180 -1.331 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 7