REMARK Name = BDB044832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.632 0.465 1.572 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.700 1.385 0.509 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.572 1.566 -0.300 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.368 0.904 -0.093 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.504 1.385 -1.128 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -2.144 2.241 -1.937 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.292 -0.009 0.975 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -3.368 2.349 -1.401 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -4.032 2.972 -1.845 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.418 -0.207 1.791 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -8.664 0.669 3.526 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -8.444 0.222 2.413 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -7.125 -0.351 1.945 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.830 0.238 2.466 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -6.254 -1.163 2.860 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -7.395 -0.777 0.529 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -8.728 -0.448 0.231 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -9.320 -0.698 -0.989 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -8.535 -1.315 -1.963 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -7.201 -1.665 -1.692 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.627 -1.401 -0.442 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -9.324 0.141 1.349 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -10.280 0.454 1.407 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 -0.136 1.029 -1.368 0.00 0.00 +0.031 C ATOM 25 C LIG 1 0.778 0.691 -0.444 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.174 0.353 -0.759 0.00 0.00 -0.025 A ATOM 27 C LIG 1 2.797 -0.677 -0.046 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.132 -1.010 -0.297 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.877 -0.306 -1.253 0.00 0.00 -0.033 A ATOM 30 C LIG 1 4.254 0.730 -1.960 0.00 0.00 +0.005 A ATOM 31 C LIG 1 2.918 1.061 -1.709 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 6.316 -0.680 -1.542 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 7.156 -0.762 -0.337 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 7.390 0.548 0.292 0.00 0.00 +0.085 C ATOM 35 C LIG 1 8.809 1.083 0.106 0.00 0.00 +0.015 C ATOM 36 C LIG 1 9.851 0.108 0.649 0.00 0.00 +0.002 C ATOM 37 C LIG 1 9.417 -1.349 0.498 0.00 0.00 +0.015 C ATOM 38 C LIG 1 8.387 -1.513 -0.617 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5