REMARK Name = BDB028033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.570 -1.367 -0.371 0.00 0.00 +0.207 C ATOM 2 C LIG 1 0.427 -0.899 0.699 0.00 0.00 +0.249 C ATOM 3 O LIG 1 0.090 -0.621 1.842 0.00 0.00 -0.272 OA ATOM 4 N LIG 1 1.692 -0.799 0.094 0.00 0.00 -0.269 N ATOM 5 C LIG 1 1.605 -1.141 -1.307 0.00 0.00 +0.117 C ATOM 6 C LIG 1 0.349 -1.981 -1.415 0.00 0.00 +0.060 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.879 -0.293 0.691 0.00 0.00 +0.036 A ATOM 8 C LIG 1 4.020 -0.038 -0.088 0.00 0.00 +0.023 A ATOM 9 C LIG 1 5.198 0.456 0.486 0.00 0.00 +0.002 A ATOM 10 C LIG 1 5.258 0.703 1.852 0.00 0.00 +0.000 A ATOM 11 C LIG 1 4.141 0.457 2.642 0.00 0.00 +0.002 A ATOM 12 C LIG 1 2.964 -0.037 2.065 0.00 0.00 +0.023 A ENDBRANCH 4 7 BRANCH 1 13 ATOM 13 O LIG 1 -1.280 -0.288 -0.970 0.00 0.00 -0.355 OA BRANCH 13 20 ATOM 14 O LIG 1 -6.215 1.715 0.080 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -5.072 1.266 0.047 0.00 0.00 +0.219 C ATOM 16 N LIG 1 -4.845 -0.081 -0.067 0.00 0.00 -0.254 N ATOM 17 H LIG 1 -5.671 -0.648 -0.203 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -3.653 -0.696 -0.372 0.00 0.00 +0.248 C ATOM 19 O LIG 1 -3.637 -1.866 -0.749 0.00 0.00 -0.273 OA ATOM 20 C LIG 1 -2.386 0.161 -0.191 0.00 0.00 +0.205 C ATOM 21 C LIG 1 -2.694 1.587 -0.635 0.00 0.00 +0.050 C ATOM 22 C LIG 1 -3.853 2.147 0.169 0.00 0.00 +0.099 C ENDBRANCH 13 20 ENDBRANCH 1 13 TORSDOF 3