REMARK Name = BDB018184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.151 0.691 0.237 0.00 0.00 -0.304 N ATOM 2 C LIG 1 0.968 -0.022 0.179 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.036 0.911 0.074 0.00 0.00 +0.143 A ATOM 4 N LIG 1 0.474 2.165 0.065 0.00 0.00 -0.221 NA ATOM 5 C LIG 1 1.775 2.014 0.162 0.00 0.00 +0.206 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 6.089 -0.860 0.570 0.00 0.00 +0.052 A ATOM 7 C LIG 1 5.879 0.519 0.502 0.00 0.00 +0.021 A ATOM 8 C LIG 1 4.580 1.033 0.392 0.00 0.00 +0.027 A ATOM 9 C LIG 1 3.474 0.170 0.349 0.00 0.00 +0.048 A ATOM 10 C LIG 1 3.693 -1.215 0.418 0.00 0.00 +0.027 A ATOM 11 C LIG 1 4.993 -1.724 0.528 0.00 0.00 +0.021 A BRANCH 6 13 ATOM 12 N LIG 1 8.494 -1.810 0.773 0.00 0.00 -0.191 NA ATOM 13 C LIG 1 7.419 -1.383 0.682 0.00 0.00 +0.099 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 3 14 ATOM 14 N LIG 1 -1.374 0.608 -0.008 0.00 0.00 -0.267 N ATOM 15 H LIG 1 -1.596 -0.377 0.015 0.00 0.00 +0.156 HD ATOM 16 C LIG 1 -2.389 1.552 -0.107 0.00 0.00 +0.257 C ATOM 17 O LIG 1 -2.235 2.771 -0.135 0.00 0.00 -0.272 OA BRANCH 16 18 ATOM 18 C LIG 1 -3.800 0.954 -0.175 0.00 0.00 +0.204 C ATOM 19 C LIG 1 -4.130 0.136 1.081 0.00 0.00 +0.166 C ATOM 20 N LIG 1 -4.805 -1.116 0.591 0.00 0.00 -0.266 N ATOM 21 C LIG 1 -5.126 -0.898 -0.844 0.00 0.00 +0.120 C ATOM 22 C LIG 1 -3.995 -0.013 -1.336 0.00 0.00 +0.071 C ATOM 23 F LIG 1 -4.768 1.919 -0.302 0.00 0.00 -0.230 F BRANCH 20 24 ATOM 24 C LIG 1 -5.526 -1.914 1.391 0.00 0.00 +0.169 C ATOM 25 N LIG 1 -6.141 -2.607 2.083 0.00 0.00 -0.174 NA ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 3 14 TORSDOF 5