REMARK Name = BDB024528 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.442 -2.084 1.225 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.885 -0.799 1.101 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.703 0.398 1.418 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.807 0.615 0.367 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.916 1.714 1.528 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.587 1.487 2.211 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.817 0.505 1.379 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.433 0.654 1.146 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.595 1.652 1.558 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.605 1.366 1.082 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.578 0.167 0.388 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.737 -0.287 0.404 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.373 -1.402 -0.150 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.746 -1.548 0.089 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.479 -0.625 0.848 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.864 -3.149 1.035 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.647 -0.560 -0.300 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.984 -0.679 0.449 0.00 0.00 +0.032 C ATOM 19 C LIG 1 -4.029 -1.570 -0.281 0.00 0.00 -0.020 C ATOM 20 C LIG 1 -5.367 -1.438 0.482 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -3.600 -3.051 -0.217 0.00 0.00 +0.012 C ATOM 22 C LIG 1 -4.189 -1.056 -1.744 0.00 0.00 +0.103 C ATOM 23 C LIG 1 -2.848 -0.945 -2.492 0.00 0.00 +0.017 C ATOM 24 C LIG 1 -1.844 -0.074 -1.741 0.00 0.00 +0.026 C BRANCH 22 25 ATOM 25 C LIG 1 -5.205 -1.846 -2.548 0.00 0.00 +0.308 C ATOM 26 O LIG 1 -6.402 -1.615 -2.599 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 -4.692 -2.903 -3.203 0.00 0.00 -0.480 OA ATOM 28 H LIG 1 -5.468 -3.308 -3.645 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 7.352 -3.329 1.813 0.00 0.00 +0.282 C ATOM 30 O LIG 1 6.745 -2.047 1.642 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 -1.781 2.269 1.317 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -2.276 3.010 0.095 0.00 0.00 -0.040 A ATOM 33 C LIG 1 -1.381 3.669 -0.763 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -1.848 4.365 -1.879 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.215 4.426 -2.142 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.117 3.800 -1.284 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.652 3.104 -0.167 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 6