REMARK  Name = BDB049932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.094  -1.073  -0.084  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.944   0.007  -0.121  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.771   0.874  -0.617  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.047  -0.277   0.642  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.814  -1.562   1.109  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.771  -2.179   1.927  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.941  -1.476   2.243  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.151  -0.179   1.763  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.195   0.463   0.955  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.608  -2.039   0.658  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.350   1.838   0.418  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        2.616   2.264  -0.467  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.312   2.636   0.968  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.748   2.433   1.855  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.313   3.602   0.663  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -0.883  -1.450  -2.315  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -1.224  -1.076  -0.850  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -2.140  -2.186  -0.283  0.00  0.00    +0.036 C 
BRANCH  17  19
ATOM     19  N   LIG    1       -1.825   0.282  -0.791  0.00  0.00    -0.291 NA
ATOM     20  C   LIG    1       -2.324   0.699   0.523  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.974   2.033   0.200  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -3.539   1.849  -1.202  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -2.924   0.553  -1.720  0.00  0.00    +0.085 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3