REMARK Name = BDB057466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.408 0.211 -0.101 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.756 1.520 -0.582 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -0.260 1.756 -1.673 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.837 2.501 0.348 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.495 3.298 -0.106 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.884 0.345 -0.201 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.145 1.320 -0.421 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.700 -0.095 0.862 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.976 0.482 1.071 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.819 0.029 2.100 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.433 -1.046 2.894 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.214 -1.672 2.659 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.365 -1.208 1.647 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.423 1.626 0.228 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.622 2.520 -0.044 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.810 1.700 -0.301 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.540 0.547 -0.619 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.838 0.661 -1.122 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.403 1.921 -1.320 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.672 3.071 -1.026 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.375 2.962 -0.521 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -0.938 -0.972 -0.967 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 3.107 -2.193 -0.013 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.864 -1.343 -1.090 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.556 -0.957 -1.403 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.472 -1.415 -0.644 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.720 -2.276 0.430 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.027 -2.662 0.738 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 4.327 -2.642 0.410 0.00 0.00 -0.489 OA BRANCH 29 30 ATOM 30 C LIG 1 5.508 -2.059 -0.161 0.00 0.00 +0.265 C BRANCH 30 31 ATOM 31 C LIG 1 5.835 -0.686 0.467 0.00 0.00 +0.185 C BRANCH 31 32 ATOM 32 C LIG 1 6.684 0.140 -0.484 0.00 0.00 -0.016 A ATOM 33 C LIG 1 6.107 1.196 -1.208 0.00 0.00 +0.006 A ATOM 34 C LIG 1 6.872 1.945 -2.104 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.220 1.648 -2.289 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.806 0.602 -1.577 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.043 -0.148 -0.681 0.00 0.00 +0.006 A ENDBRANCH 31 32 BRANCH 31 39 ATOM 38 C LIG 1 5.759 -1.202 2.798 0.00 0.00 +0.195 C ATOM 39 O LIG 1 6.572 -0.827 1.695 0.00 0.00 -0.372 OA ENDBRANCH 31 39 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 13