REMARK  Name = BDB045138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.997   0.055  -0.736  0.00  0.00    -0.477 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.098   0.776  -0.547  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1        1.600  -0.361   0.093  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.229  -0.643   0.060  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.645   0.207  -0.619  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -0.138   1.350  -1.246  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.229   1.638  -1.216  0.00  0.00    +0.013 A 
BRANCH   2   9
ATOM      8  N   LIG    1        4.404   0.317   0.048  0.00  0.00    -0.092 NA
ATOM      9  C   LIG    1        3.538   1.090  -0.526  0.00  0.00    +0.160 C 
BRANCH   8  10
ATOM     10  O   LIG    1        5.680   0.881  -0.104  0.00  0.00    -0.391 OA
BRANCH  10  12
ATOM     11  C   LIG    1        7.045  -1.089  -0.395  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        6.644   0.043   0.543  0.00  0.00    +0.198 C 
ATOM     13  C   LIG    1        7.845   0.912   0.892  0.00  0.00    +0.054 C 
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  C   LIG    1       -2.591  -1.183  -0.352  0.00  0.00    +0.285 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.817  -1.359   1.160  0.00  0.00    +0.346 C 
ATOM     16  O   LIG    1       -2.618  -0.505   2.011  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -3.213  -2.613   1.506  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -3.300  -3.245   0.769  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
BRANCH  14  19
ATOM     19  C   LIG    1       -3.919  -1.326  -1.123  0.00  0.00    +0.091 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.008  -0.361  -0.716  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -5.008   0.955  -1.200  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -6.009   1.850  -0.822  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -7.019   1.442   0.045  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.029   0.138   0.536  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.029  -0.760   0.158  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 9