REMARK  Name = BDB009124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.950   1.438  -3.097  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.162   1.243  -2.177  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1       -2.561   0.514  -0.947  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -3.982   0.029  -0.883  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -4.225  -0.960   0.260  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.539  -0.498   1.539  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -2.028  -0.350   1.333  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.668   0.325   0.040  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.283   0.844  -0.189  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        0.070   1.504  -1.250  0.00  0.00    -0.176 NA
ATOM     11  N   LIG    1       -0.870   1.692  -2.213  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -0.580   2.199  -3.043  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        0.764   0.616   0.898  0.00  0.00    +0.077 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.220   0.718   0.413  0.00  0.00    +0.073 C 
ATOM     15  N   LIG    1        3.130   0.698   1.595  0.00  0.00    -0.310 NA
ATOM     16  H   LIG    1        3.941   1.272   1.359  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.629  -0.666   1.838  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1        4.390  -1.258   0.628  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1        3.992  -0.705  -0.679  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1        4.501   0.168  -0.822  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        2.556  -0.371  -0.652  0.00  0.00    +0.100 C 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2