REMARK  Name = BDB047627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.100   3.400   2.410  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.803   2.279   1.637  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.784   1.391   1.099  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.930   1.906   0.836  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.128   0.500   0.061  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.410  -0.068  -0.123  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.627  -0.966  -1.192  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.603  -1.353  -2.051  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.327  -0.856  -1.851  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.565   0.158   0.655  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.421  -0.278   0.335  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.791   0.826   1.814  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.943   0.832   2.260  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.083   0.040  -0.798  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1       -3.685   1.482   2.572  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.308   0.555  -0.638  0.00  0.00    +0.246 C 
ATOM     17  N   LIG    1        1.314  -0.373  -0.795  0.00  0.00    -0.305 N 
ATOM     18  H   LIG    1        1.076  -1.355  -0.844  0.00  0.00    +0.150 HD
ATOM     19  O   LIG    1        0.505   1.734  -0.361  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.712  -0.035  -0.586  0.00  0.00    +0.100 C 
ATOM     21  C   LIG    1        3.042   0.068   0.906  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        3.580  -1.038  -1.325  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        4.105  -0.700  -2.584  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.885  -1.609  -3.301  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.143  -2.873  -2.776  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.618  -3.230  -1.536  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.838  -2.321  -0.817  0.00  0.00    +0.005 A 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 3