REMARK Name = BDB001099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.247 -0.151 1.550 0.00 0.00 +0.044 C ATOM 2 C LIG 1 1.424 0.383 0.410 0.00 0.00 -0.047 A ATOM 3 C LIG 1 0.085 -0.016 0.207 0.00 0.00 -0.031 A ATOM 4 C LIG 1 -0.616 -0.970 1.147 0.00 0.00 +0.055 C ATOM 5 C LIG 1 -1.733 -1.719 0.428 0.00 0.00 +0.109 C ATOM 6 N LIG 1 -2.595 -0.815 -0.292 0.00 0.00 -0.311 N ATOM 7 H LIG 1 -3.524 -1.112 -0.566 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 -2.077 0.184 -1.082 0.00 0.00 +0.244 C ATOM 9 O LIG 1 -2.771 0.746 -1.920 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.645 0.543 -0.865 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -0.046 1.456 -1.738 0.00 0.00 +0.013 A ATOM 12 C LIG 1 1.284 1.823 -1.552 0.00 0.00 +0.001 A ATOM 13 C LIG 1 2.011 1.291 -0.487 0.00 0.00 +0.003 A ENDROOT TORSDOF 0