REMARK  Name = BDB049925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.722  -0.904   0.574  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -1.550  -0.050  -0.118  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -1.328   0.903  -0.382  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.704  -0.721  -0.436  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.511  -1.992   0.087  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -3.514  -2.958  -0.073  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.679  -2.611  -0.768  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.850  -1.322  -1.286  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.863  -0.334  -1.120  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.291  -2.088   0.709  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.980   1.052  -1.636  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -3.010   1.802  -1.676  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -5.214   1.488  -2.030  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.282   2.471  -2.263  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -6.067   1.017  -1.771  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1        0.415   0.410   2.335  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1        0.643  -0.455   1.078  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1        1.479  -1.692   1.452  0.00  0.00    +0.036 C 
BRANCH  17  19
ATOM     19  N   LIG    1        1.277   0.332  -0.005  0.00  0.00    -0.302 NA
ATOM     20  H   LIG    1        1.281  -0.245  -0.849  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.626   0.829   0.234  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        2.826   2.168  -0.478  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        4.341   2.346  -0.512  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        4.929   0.935  -0.460  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        3.734  -0.014  -0.402  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4