REMARK Name = BDB042085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.181 -2.807 -1.387 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.393 -0.156 0.312 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.903 -0.996 1.302 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.384 -1.224 2.395 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.664 -1.585 0.782 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.410 -1.029 -0.469 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.291 -1.410 -1.189 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.419 -2.365 -0.629 0.00 0.00 -0.033 A ATOM 9 C LIG 1 1.706 -2.916 0.644 0.00 0.00 +0.005 A ATOM 10 C LIG 1 2.837 -2.524 1.364 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.471 -0.037 -0.811 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 8.676 4.215 -0.037 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.082 3.171 0.212 0.00 0.00 +0.219 C ATOM 14 N LIG 1 6.924 3.174 0.947 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.574 4.095 1.178 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 5.968 2.183 0.941 0.00 0.00 +0.240 C ATOM 17 O LIG 1 4.800 2.449 1.213 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.479 0.782 0.565 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.431 0.905 -0.622 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.585 1.824 -0.251 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -1.051 -2.042 -1.151 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 -1.560 -2.159 0.219 0.00 0.00 +0.086 C ATOM 23 C LIG 1 -2.953 -1.539 0.337 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -2.918 -0.070 -0.107 0.00 0.00 +0.083 C ATOM 25 C LIG 1 -2.351 0.017 -1.532 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -0.975 -0.648 -1.595 0.00 0.00 +0.086 C BRANCH 24 27 ATOM 27 N LIG 1 -4.233 0.621 0.052 0.00 0.00 -0.282 N BRANCH 27 28 ATOM 28 C LIG 1 -4.490 1.072 1.381 0.00 0.00 +0.126 A ATOM 29 N LIG 1 -3.560 0.910 2.354 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 -3.829 1.367 3.598 0.00 0.00 +0.113 A ATOM 31 C LIG 1 -5.003 2.003 3.950 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -5.956 2.186 2.962 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.696 1.722 1.672 0.00 0.00 +0.044 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -5.255 0.243 -0.848 0.00 0.00 +0.035 A ATOM 35 C LIG 1 -5.408 0.927 -2.061 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -6.425 0.584 -2.955 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -7.310 -0.445 -2.640 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.181 -1.127 -1.432 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -6.163 -0.781 -0.540 0.00 0.00 +0.023 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6