REMARK  Name = BDB018690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.427   0.351  -1.147  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.930   0.841   0.068  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.845   0.213   0.674  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -0.353   0.698   1.889  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -0.878   1.397   2.401  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        0.777   0.227   2.508  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        1.691  -0.666   1.667  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        2.695  -1.429   2.546  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        3.993  -0.690   2.449  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        3.759   0.558   1.690  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        0.836  -1.635   0.841  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        2.588   0.215   0.781  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1        1.059   0.611   3.640  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.262  -0.920   0.099  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -0.777  -1.426  -1.099  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -1.854  -0.790  -1.724  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -4.728   1.688  -3.836  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1       -3.707   0.948  -3.137  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -2.914   0.624  -3.673  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -3.584   1.053  -1.766  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -4.347   1.709  -1.066  0.00  0.00    -0.270 OA
ENDBRANCH   1  20
BRANCH   9  22
ATOM     22  C   LIG    1        4.997  -0.848   3.323  0.00  0.00    +0.169 C 
ATOM     23  N   LIG    1        5.868  -0.990   4.071  0.00  0.00    -0.174 NA
ENDBRANCH   9  22
TORSDOF 2