REMARK Name = BDB052551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.843 -0.692 0.247 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.337 0.365 -0.514 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -1.029 0.582 -0.489 0.00 0.00 +0.043 A ATOM 4 N LIG 1 -1.719 1.576 -1.172 0.00 0.00 -0.281 N ATOM 5 H LIG 1 -1.302 2.273 -1.772 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -3.079 1.510 -0.927 0.00 0.00 +0.249 C ATOM 7 C LIG 1 -3.264 0.342 0.014 0.00 0.00 +0.048 C ATOM 8 C LIG 1 -4.369 -0.177 0.576 0.00 0.00 +0.039 C ATOM 9 O LIG 1 -3.929 2.251 -1.385 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.912 -0.205 0.251 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -1.427 -1.259 1.003 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -0.044 -1.499 0.995 0.00 0.00 +0.024 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -5.732 0.224 0.454 0.00 0.00 +0.044 A ATOM 14 C LIG 1 -6.897 -0.297 1.022 0.00 0.00 -0.012 A ATOM 15 C LIG 1 -7.002 -1.466 1.946 0.00 0.00 +0.047 C ATOM 16 C LIG 1 -8.007 0.498 0.558 0.00 0.00 +0.080 A ATOM 17 C LIG 1 -7.467 1.463 -0.268 0.00 0.00 +0.098 A ATOM 18 N LIG 1 -6.112 1.290 -0.322 0.00 0.00 -0.360 N ATOM 19 H LIG 1 -5.488 1.878 -0.867 0.00 0.00 +0.165 HD BRANCH 16 20 ATOM 20 C LIG 1 -9.431 0.392 0.839 0.00 0.00 +0.339 C ATOM 21 O LIG 1 -10.302 1.125 0.391 0.00 0.00 -0.245 OA BRANCH 20 22 ATOM 22 O LIG 1 -9.779 -0.614 1.672 0.00 0.00 -0.477 OA ATOM 23 H LIG 1 -10.750 -0.510 1.726 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 16 20 ENDBRANCH 8 13 BRANCH 1 27 ATOM 24 N LIG 1 4.460 -1.021 -0.058 0.00 0.00 -0.269 N ATOM 25 H LIG 1 4.357 -2.004 0.140 0.00 0.00 +0.156 HD ATOM 26 C LIG 1 3.282 -0.303 -0.207 0.00 0.00 +0.308 C ATOM 27 N LIG 1 2.213 -1.029 0.304 0.00 0.00 -0.269 N ATOM 28 H LIG 1 2.456 -1.801 0.906 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 3.192 0.808 -0.713 0.00 0.00 -0.252 OA BRANCH 24 33 ATOM 30 C LIG 1 8.448 0.124 -0.877 0.00 0.00 +0.120 A ATOM 31 C LIG 1 7.438 1.081 -0.938 0.00 0.00 +0.047 A ATOM 32 C LIG 1 6.107 0.726 -0.672 0.00 0.00 +0.027 A ATOM 33 C LIG 1 5.771 -0.589 -0.348 0.00 0.00 +0.035 A ATOM 34 C LIG 1 6.790 -1.545 -0.281 0.00 0.00 +0.027 A ATOM 35 C LIG 1 8.116 -1.190 -0.546 0.00 0.00 +0.047 A BRANCH 30 37 ATOM 36 C LIG 1 10.161 1.660 -1.471 0.00 0.00 +0.277 C ATOM 37 O LIG 1 9.777 0.338 -1.112 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 24 33 ENDBRANCH 1 27 TORSDOF 6