REMARK Name = BDB022906 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.707 1.749 -3.957 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.845 2.175 -2.487 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.404 1.062 -1.683 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.782 0.888 -1.717 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.490 1.645 -2.394 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.478 0.261 -0.871 0.00 0.00 +0.163 C ATOM 7 C LIG 1 0.986 0.394 -1.220 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.450 1.600 -1.700 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.805 1.676 -1.903 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.643 0.650 -1.669 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.107 -0.487 -1.208 0.00 0.00 +0.216 A ATOM 12 N LIG 1 1.799 -0.655 -0.973 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 0.490 2.716 -1.936 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.483 -0.260 -0.983 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.289 -0.339 0.543 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.197 -1.457 1.121 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.326 -2.644 0.255 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -4.538 -3.855 1.042 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.220 -2.790 -0.688 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.223 -1.615 -1.670 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -3.493 0.957 1.312 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -2.660 1.247 2.406 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -2.824 2.423 3.140 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.828 3.324 2.796 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.669 3.046 1.722 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.507 1.869 0.988 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 3.893 -1.597 -0.959 0.00 0.00 -0.304 N ATOM 28 H LIG 1 3.287 -2.222 -0.438 0.00 0.00 +0.150 HD BRANCH 27 29 ATOM 29 CA LIG 1 5.191 -1.400 -0.310 0.00 0.00 +0.129 C BRANCH 29 30 ATOM 30 C LIG 1 5.018 -0.971 1.144 0.00 0.00 -0.025 A ATOM 31 C LIG 1 4.873 -1.953 2.141 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.686 -1.597 3.478 0.00 0.00 +0.000 A ATOM 33 C LIG 1 4.632 -0.254 3.841 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.760 0.732 2.866 0.00 0.00 +0.000 A ATOM 35 C LIG 1 4.947 0.377 1.527 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 6.207 -0.591 -1.159 0.00 0.00 +0.182 C BRANCH 36 37 ATOM 37 O LIG 1 7.561 -0.954 -0.853 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 7.695 -1.859 -1.183 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 29 36 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 7