REMARK  Name = BDB052990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.782  -0.123   1.009  0.00  0.00    -0.195 N 
ATOM      2  C   LIG    1       -0.894  -0.090   2.403  0.00  0.00    +0.280 A 
ATOM      3  O   LIG    1       -1.931  -0.160   3.062  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1        0.367   0.019   3.160  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        1.583   0.052   2.492  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.769   0.207   3.230  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        2.728   0.295   4.625  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.509   0.238   5.292  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.560  -0.049   1.008  0.00  0.00    +0.153 A 
ATOM     10  C   LIG    1        0.330   0.105   4.563  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        0.430  -0.112   0.356  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -4.112  -0.364  -1.682  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -2.822  -0.671  -2.106  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -1.740  -0.593  -1.219  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -1.914  -0.204   0.121  0.00  0.00    +0.070 A 
ATOM     16  C   LIG    1       -3.221   0.101   0.527  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -4.307   0.024  -0.360  0.00  0.00    +0.048 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -6.411  -0.185  -2.248  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -5.077  -0.480  -2.642  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   9  20
ATOM     20  N   LIG    1        2.767  -0.076   0.313  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        3.591  -0.308   0.853  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.969   0.070  -1.022  0.00  0.00    +0.120 A 
ATOM     23  N   LIG    1        1.968   0.418  -1.889  0.00  0.00    -0.264 N 
ATOM     24  H   LIG    1        0.996   0.589  -1.652  0.00  0.00    +0.190 HD
ATOM     25  N   LIG    1        2.372   0.527  -3.168  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        3.678   0.241  -3.115  0.00  0.00    +0.062 A 
ATOM     27  C   LIG    1        4.494   0.256  -4.353  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        4.100  -0.047  -1.794  0.00  0.00    +0.068 A 
ENDBRANCH  20  22
ENDBRANCH   9  20
TORSDOF 4