REMARK Name = BDB024369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.037 1.005 0.368 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.938 2.527 0.495 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.912 3.372 -0.630 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.790 4.757 -0.484 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.686 5.322 0.792 0.00 0.00 +0.052 A ATOM 6 C LIG 1 1.701 4.493 1.919 0.00 0.00 +0.019 A ATOM 7 C LIG 1 1.824 3.107 1.772 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 1.560 6.744 0.941 0.00 0.00 +0.099 C ATOM 9 N LIG 1 1.453 7.895 1.053 0.00 0.00 -0.191 NA ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 12 ATOM 10 N LIG 1 -0.442 0.997 0.143 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -0.299 1.940 -0.190 0.00 0.00 +0.156 HD ATOM 12 C LIG 1 0.672 0.261 0.498 0.00 0.00 +0.240 C ATOM 13 O LIG 1 0.682 -0.926 0.838 0.00 0.00 -0.273 OA BRANCH 10 17 ATOM 14 C LIG 1 -4.430 -0.240 0.269 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -3.367 -1.067 0.619 0.00 0.00 +0.121 A ATOM 16 N LIG 1 -2.062 -0.698 0.592 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 -1.767 0.549 0.189 0.00 0.00 +0.125 A ATOM 18 C LIG 1 -2.759 1.451 -0.188 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -4.098 1.052 -0.145 0.00 0.00 +0.013 A BRANCH 14 24 ATOM 20 C LIG 1 -8.572 -2.753 1.380 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -7.634 -1.810 0.821 0.00 0.00 -0.274 N ATOM 22 N LIG 1 -8.072 -0.861 -0.024 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -6.966 -0.178 -0.329 0.00 0.00 +0.143 A ATOM 24 C LIG 1 -5.811 -0.682 0.317 0.00 0.00 +0.021 A ATOM 25 C LIG 1 -6.289 -1.749 1.054 0.00 0.00 +0.116 A ENDBRANCH 14 24 ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 1 26 ATOM 26 N LIG 1 2.673 0.559 -0.897 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 2.416 -0.424 -1.043 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 4.143 0.636 -0.861 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.849 -0.455 -0.030 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.636 -1.855 -0.559 0.00 0.00 -0.046 A ATOM 31 C LIG 1 3.650 -2.684 -0.006 0.00 0.00 +0.005 A ATOM 32 C LIG 1 3.441 -3.970 -0.510 0.00 0.00 +0.019 A ATOM 33 C LIG 1 4.220 -4.445 -1.570 0.00 0.00 +0.052 A ATOM 34 C LIG 1 5.205 -3.624 -2.128 0.00 0.00 +0.019 A ATOM 35 C LIG 1 5.410 -2.336 -1.627 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 4.012 -5.768 -2.082 0.00 0.00 +0.099 C ATOM 37 N LIG 1 3.854 -6.841 -2.495 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10