REMARK Name = BDB064836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.037 -0.221 -0.545 0.00 0.00 +0.012 C ATOM 2 C LIG 1 -0.613 -0.014 -0.001 0.00 0.00 -0.018 C ATOM 3 C LIG 1 0.105 1.036 -0.862 0.00 0.00 +0.103 C ATOM 4 C LIG 1 1.575 1.155 -0.534 0.00 0.00 +0.220 C ATOM 5 O LIG 1 2.197 2.204 -0.678 0.00 0.00 -0.275 OA ATOM 6 N LIG 1 2.203 0.013 -0.110 0.00 0.00 -0.256 N ATOM 7 H LIG 1 3.184 0.107 0.114 0.00 0.00 +0.157 HD ATOM 8 C LIG 1 1.627 -1.185 0.222 0.00 0.00 +0.220 C ATOM 9 O LIG 1 2.292 -2.094 0.711 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 0.158 -1.339 -0.094 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -0.720 0.457 1.463 0.00 0.00 +0.012 C ENDROOT TORSDOF 0