REMARK Name = BDB056434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.491 0.113 0.403 0.00 0.00 +0.188 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 1.110 0.032 -0.886 0.00 0.00 -0.376 OA BRANCH 2 3 ATOM 3 C LIG 1 2.440 -0.492 -0.847 0.00 0.00 +0.174 C BRANCH 3 4 ATOM 4 C LIG 1 3.450 0.519 -0.287 0.00 0.00 +0.105 C BRANCH 4 5 ATOM 5 N LIG 1 4.823 0.020 -0.336 0.00 0.00 -0.328 NA ATOM 6 H LIG 1 4.908 -0.812 0.247 0.00 0.00 +0.118 HD ATOM 7 H LIG 1 5.449 0.717 0.066 0.00 0.00 +0.118 HD ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.008 0.359 0.223 0.00 0.00 +0.188 C BRANCH 8 9 ATOM 9 O LIG 1 -1.650 -0.877 -0.098 0.00 0.00 -0.375 OA BRANCH 9 10 ATOM 10 C LIG 1 -2.966 -0.727 -0.637 0.00 0.00 +0.187 C BRANCH 10 11 ATOM 11 C LIG 1 -3.982 -0.130 0.340 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 O LIG 1 -4.172 -0.989 1.460 0.00 0.00 -0.393 OA ATOM 13 H LIG 1 -4.814 -0.559 2.049 0.00 0.00 +0.209 HD ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 1 8 TORSDOF 9