REMARK Name = BDB060394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.514 1.889 -0.056 0.00 0.00 -0.274 OA ATOM 2 C LIG 1 -0.765 0.931 -0.004 0.00 0.00 +0.228 C ATOM 3 N LIG 1 0.608 0.984 0.079 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.074 1.868 -0.072 0.00 0.00 +0.150 HD ATOM 5 C LIG 1 1.186 -0.282 -0.183 0.00 0.00 +0.189 C ATOM 6 N LIG 1 0.157 -1.225 0.235 0.00 0.00 -0.293 NA ATOM 7 H LIG 1 0.234 -1.296 1.250 0.00 0.00 +0.124 HD ATOM 8 C LIG 1 -1.125 -0.535 -0.046 0.00 0.00 +0.178 C ENDROOT TORSDOF 0