REMARK Name = BDB055036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.008 0.350 1.148 0.00 0.00 -0.254 N ATOM 2 H LIG 1 -1.693 -0.031 2.039 0.00 0.00 +0.169 HD ATOM 3 C LIG 1 -1.182 0.311 0.031 0.00 0.00 +0.227 C ATOM 4 O LIG 1 -1.564 0.605 -1.098 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 5 N LIG 1 -3.375 0.659 0.988 0.00 0.00 -0.254 NA ATOM 6 H LIG 1 -3.656 0.309 0.061 0.00 0.00 +0.140 HD ATOM 7 H LIG 1 -3.448 1.676 0.880 0.00 0.00 +0.140 HD ENDBRANCH 1 5 BRANCH 3 8 ATOM 8 C LIG 1 0.225 -0.130 0.359 0.00 0.00 +0.108 C BRANCH 8 9 ATOM 9 C LIG 1 1.111 -0.152 -0.880 0.00 0.00 +0.129 C BRANCH 9 10 ATOM 10 C LIG 1 2.502 -0.592 -0.531 0.00 0.00 +0.305 C ATOM 11 O LIG 1 2.920 -0.902 0.572 0.00 0.00 -0.251 OA BRANCH 10 12 ATOM 12 O LIG 1 3.310 -0.619 -1.607 0.00 0.00 -0.481 OA ATOM 13 H LIG 1 4.176 -0.916 -1.257 0.00 0.00 +0.295 HD ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 3 8 TORSDOF 5