REMARK  Name = BDB029491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.788  -1.605  -2.057  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.850  -1.074  -1.470  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.740  -1.148  -0.105  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.549  -1.572   0.330  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.144  -0.184   0.668  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -3.589   0.083   1.780  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.938   0.504   0.054  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.709  -0.410   0.193  0.00  0.00    +0.122 C 
ATOM      9  N   LIG    1        0.413   0.523   0.122  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1        0.016   1.861   0.544  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -1.479   1.736   0.851  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.274   0.875  -1.400  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.757  -0.330  -2.197  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        1.690   0.036   0.284  0.00  0.00    +0.121 A 
ATOM     15  N   LIG    1        1.855  -1.305   0.370  0.00  0.00    -0.238 NA
ATOM     16  C   LIG    1        3.107  -1.810   0.510  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        4.237  -1.017   0.561  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1        4.087   0.361   0.460  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        2.799   0.884   0.316  0.00  0.00    +0.046 A 
BRANCH  17  20
ATOM     20  N   LIG    1        5.550  -1.626   0.711  0.00  0.00    +0.058 N 
ATOM     21  O   LIG    1        5.608  -2.861   0.788  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        6.531  -0.871   0.752  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   9  14
TORSDOF 2