REMARK Name = BDB025053 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.204 -0.860 0.258 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.330 0.138 -0.208 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.829 1.521 -0.416 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.790 1.594 -1.616 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.738 2.580 -0.642 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.543 2.316 0.243 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.012 0.959 -0.115 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.627 0.706 -0.203 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.420 1.567 -0.020 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.524 0.860 -0.172 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -1.218 -0.443 -0.525 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.163 -0.565 -0.506 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.033 -1.638 -0.718 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.408 -1.381 -0.619 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.916 -0.108 -0.320 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.914 -2.026 0.504 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.120 -1.546 -0.858 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.759 -2.175 0.391 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.677 -3.363 0.069 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.662 -3.046 -1.061 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.983 -2.454 -2.296 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -3.156 -1.220 -1.944 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.883 -4.615 -0.246 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.730 -4.674 -0.637 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.604 -5.739 -0.067 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.982 -6.464 -0.287 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.393 -1.352 0.969 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.471 -0.385 0.466 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.905 1.423 -0.003 0.00 0.00 +0.110 C BRANCH 29 30 ATOM 30 C LIG 1 -2.968 2.576 0.986 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -2.963 2.370 2.380 0.00 0.00 +0.055 A ATOM 32 C LIG 1 -3.005 3.467 3.252 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.043 4.768 2.750 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -3.035 4.981 1.375 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.995 3.896 0.498 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 C LIG 1 -2.933 1.049 2.943 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -2.948 -0.024 3.386 0.00 0.00 -0.191 NA ENDBRANCH 31 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7