REMARK Name = BDB016766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.002 0.266 -2.444 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.471 -0.832 -3.145 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.153 -1.226 -2.882 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.325 -0.575 -1.975 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.089 -1.294 -2.024 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.166 -2.336 -2.866 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.852 0.527 -1.275 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.400 -2.251 -3.382 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.678 -2.940 -4.071 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 4.171 0.933 -1.528 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.607 -1.039 1.747 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.578 -0.842 0.358 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.285 0.214 -0.197 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.476 0.707 -1.603 0.00 0.00 +0.081 C ATOM 15 C LIG 1 6.416 0.742 -2.686 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.425 1.875 -1.457 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.687 2.018 -0.106 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.301 2.731 0.257 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.860 2.550 -2.374 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 7.568 -0.240 -2.765 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.029 1.047 0.652 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.084 0.883 2.019 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.356 -0.177 2.569 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.804 -2.329 3.580 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.869 -2.109 2.177 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.110 -1.036 -1.282 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -0.549 0.162 -0.860 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -1.800 0.363 -0.116 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -2.235 -0.528 0.871 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -3.416 -0.284 1.582 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.187 0.858 1.327 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -3.733 1.761 0.356 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -2.554 1.517 -0.356 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 -5.464 1.125 2.101 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 N LIG 1 -6.716 0.619 1.512 0.00 0.00 -0.293 NA ATOM 36 C LIG 1 -6.853 -0.846 1.597 0.00 0.00 +0.054 C ATOM 37 C LIG 1 -8.033 -1.173 2.521 0.00 0.00 +0.024 C ATOM 38 C LIG 1 -6.994 -1.523 0.229 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -8.139 -0.958 -0.602 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -8.358 0.531 -0.355 0.00 0.00 +0.019 C ATOM 41 C LIG 1 -7.114 1.227 0.229 0.00 0.00 +0.054 C ATOM 42 C LIG 1 -7.437 2.719 0.391 0.00 0.00 +0.024 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6