REMARK Name = BDB006403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.093 -3.338 -1.720 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.175 -2.191 -1.966 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.553 -0.832 -2.198 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.617 -0.090 -2.379 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.585 1.292 -2.636 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.658 1.927 -2.703 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.842 1.213 -2.513 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.679 -0.971 -2.254 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.799 -0.169 -2.275 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.211 -2.248 -2.010 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.112 -3.422 -1.824 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.132 1.956 -2.587 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.188 1.418 -1.885 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.009 0.702 -1.195 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.210 3.006 -3.214 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.439 2.135 -1.783 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 6.487 1.291 -1.097 0.00 0.00 -0.023 A ATOM 18 C LIG 1 6.525 1.120 0.316 0.00 0.00 -0.013 A ATOM 19 C LIG 1 7.529 0.286 0.874 0.00 0.00 -0.018 A ATOM 20 C LIG 1 7.592 0.096 2.264 0.00 0.00 +0.008 A ATOM 21 C LIG 1 6.678 0.712 3.117 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.688 1.529 2.589 0.00 0.00 +0.001 A ATOM 23 C LIG 1 8.455 -0.351 0.037 0.00 0.00 +0.008 A ATOM 24 C LIG 1 8.404 -0.186 -1.344 0.00 0.00 +0.001 A ATOM 25 C LIG 1 5.613 1.731 1.208 0.00 0.00 +0.009 A ATOM 26 C LIG 1 7.425 0.625 -1.907 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.087 -0.602 -2.418 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.832 -0.506 -1.107 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -3.349 0.266 -0.041 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.070 0.365 1.153 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.299 -0.291 1.310 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.785 -1.054 0.239 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.065 -1.156 -0.956 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -6.050 -0.194 2.572 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -6.628 1.003 3.039 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -7.260 1.059 4.291 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -7.354 -0.085 5.080 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.812 -1.284 4.626 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.165 -1.337 3.388 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -6.596 2.258 2.264 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -6.249 3.345 2.687 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -7.098 2.097 1.029 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -7.039 2.986 0.625 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8