REMARK Name = BDB045848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.349 -0.183 0.302 0.00 0.00 +0.036 A ATOM 2 C LIG 1 -0.639 -1.167 0.434 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.921 -0.949 -0.071 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -2.225 0.257 -0.702 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.251 1.248 -0.823 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.035 1.032 -0.320 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 2.752 0.248 0.344 0.00 0.00 -0.325 N ATOM 8 H LIG 1 3.671 -0.057 0.641 0.00 0.00 +0.145 HD ATOM 9 H LIG 1 2.690 0.730 -0.541 0.00 0.00 +0.145 HD ATOM 10 C LIG 1 1.701 -0.463 0.855 0.00 0.00 +0.242 C ATOM 11 O LIG 1 1.885 -1.321 1.709 0.00 0.00 -0.270 OA ENDBRANCH 1 10 TORSDOF 1