REMARK Name = BDB053610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.019 1.517 0.235 0.00 0.00 +0.099 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.534 1.305 0.033 0.00 0.00 +0.043 C ATOM 3 C LIG 1 0.926 -0.089 -0.490 0.00 0.00 +0.114 C ATOM 4 N LIG 1 2.345 -0.168 -0.844 0.00 0.00 -0.301 N ATOM 5 C LIG 1 3.051 -1.326 -0.514 0.00 0.00 +0.219 C ATOM 6 O LIG 1 2.524 -2.258 0.095 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 2.838 0.822 -1.799 0.00 0.00 +0.108 C ATOM 8 C LIG 1 1.829 1.927 -2.089 0.00 0.00 +0.019 C ATOM 9 C LIG 1 1.203 2.437 -0.797 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C LIG 1 4.539 -1.367 -0.882 0.00 0.00 +0.077 C ATOM 11 C LIG 1 5.348 -0.475 0.079 0.00 0.00 +0.031 C ATOM 12 C LIG 1 6.466 -1.366 0.623 0.00 0.00 +0.051 C ATOM 13 C LIG 1 5.855 -2.760 0.608 0.00 0.00 +0.019 C ATOM 14 C LIG 1 5.138 -2.778 -0.735 0.00 0.00 +0.014 C BRANCH 12 15 ATOM 15 N LIG 1 6.934 -0.966 1.939 0.00 0.00 -0.327 NA ATOM 16 H LIG 1 7.196 0.018 1.931 0.00 0.00 +0.118 HD ATOM 17 H LIG 1 6.178 -1.053 2.619 0.00 0.00 +0.118 HD ENDBRANCH 12 15 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.584 0.539 1.290 0.00 0.00 +0.026 A ATOM 19 C LIG 1 -2.007 -0.780 0.993 0.00 0.00 +0.134 A ATOM 20 C LIG 1 -2.529 -1.607 2.005 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -2.605 -1.162 3.322 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -2.173 0.116 3.640 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -1.671 0.952 2.639 0.00 0.00 +0.010 A BRANCH 19 24 ATOM 24 O LIG 1 -1.927 -1.193 -0.324 0.00 0.00 -0.456 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.036 -2.529 -0.618 0.00 0.00 +0.128 A ATOM 26 C LIG 1 -1.000 -3.418 -0.329 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -1.125 -4.760 -0.689 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -2.273 -5.203 -1.347 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.297 -4.304 -1.654 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -3.175 -2.961 -1.297 0.00 0.00 +0.046 A ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 1 18 BRANCH 1 31 ATOM 31 O LIG 1 -1.166 2.864 0.754 0.00 0.00 -0.384 OA ATOM 32 H LIG 1 -0.407 3.055 1.328 0.00 0.00 +0.211 HD ENDBRANCH 1 31 BRANCH 1 33 ATOM 33 C LIG 1 -1.794 1.557 -1.117 0.00 0.00 +0.040 C BRANCH 33 34 ATOM 34 C LIG 1 -3.332 1.666 -1.058 0.00 0.00 +0.005 C BRANCH 34 35 ATOM 35 C LIG 1 -3.871 2.922 -0.375 0.00 0.00 +0.028 C BRANCH 35 36 ATOM 36 C LIG 1 -5.383 3.047 -0.561 0.00 0.00 +0.159 C BRANCH 36 38 ATOM 37 C LIG 1 -5.653 5.407 -0.384 0.00 0.00 +0.193 C ATOM 38 O LIG 1 -5.929 4.135 0.186 0.00 0.00 -0.383 OA ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 12