REMARK  Name = BDB021150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.594  -0.564  -0.353  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.334  -1.068  -0.536  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -0.153  -1.556  -1.541  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.401  -0.847   0.709  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        0.444  -0.159   1.563  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.050   0.245   2.821  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.251  -0.077   3.207  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.113  -0.780   2.334  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.710  -1.170   1.047  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        1.716   0.029   0.871  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        2.672   0.614   1.340  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        6.138   1.549  -0.752  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.090   0.951  -0.981  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.022  -0.414  -0.862  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.854  -0.846  -0.483  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.895  -1.198  -0.854  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.928  -2.335  -0.385  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        2.613  -0.568  -1.393  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        2.837   0.777  -2.081  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        3.818   1.674  -1.349  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -2.526  -1.915   0.186  0.00  0.00    -0.336 N 
ATOM     22  H   LIG    1       -2.074  -2.034  -0.728  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.914  -1.472   0.012  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.081  -0.145  -0.649  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1       -4.942   0.734  -0.058  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1       -4.938   1.862  -0.814  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1       -4.087   1.722  -1.885  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -3.532   0.425  -1.781  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 4