REMARK Name = BDB045460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.756 0.207 -0.205 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.530 0.496 -1.331 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -2.908 0.729 -1.201 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -3.512 0.697 0.062 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.742 0.417 1.188 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -1.374 0.173 1.053 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.697 1.036 -2.423 0.00 0.00 +0.242 C ATOM 8 O LIG 1 -3.196 1.558 -3.409 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -5.017 0.676 -2.416 0.00 0.00 -0.325 N ATOM 10 H LIG 1 -5.491 0.759 -3.306 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -5.370 -0.013 -1.767 0.00 0.00 +0.145 HD ENDBRANCH 3 7 BRANCH 1 13 ATOM 12 C LIG 1 1.445 -0.136 -1.331 0.00 0.00 +0.241 C ATOM 13 N LIG 1 0.632 -0.051 -0.236 0.00 0.00 -0.282 N ATOM 14 H LIG 1 1.056 -0.206 0.676 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 1.099 -0.029 -2.504 0.00 0.00 -0.270 OA BRANCH 12 17 ATOM 16 C LIG 1 3.669 -0.600 -0.015 0.00 0.00 +0.096 C ATOM 17 C LIG 1 2.899 -0.388 -1.093 0.00 0.00 +0.074 C BRANCH 16 18 ATOM 18 C LIG 1 3.277 -0.658 1.404 0.00 0.00 +0.332 C ATOM 19 O LIG 1 2.142 -0.525 1.829 0.00 0.00 -0.246 OA BRANCH 18 21 ATOM 20 C LIG 1 4.153 -0.964 3.548 0.00 0.00 +0.280 C ATOM 21 O LIG 1 4.391 -0.885 2.141 0.00 0.00 -0.465 OA ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 12 17 ENDBRANCH 1 13 TORSDOF 5