REMARK  Name = BDB031271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.586   0.012   1.206  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.767   1.137   1.042  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.454   0.958   0.586  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.507   1.904   0.322  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.572   1.250  -0.069  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.340  -0.125  -0.103  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        0.968  -0.322   0.335  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.781  -1.460   0.481  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.094  -1.270   0.933  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.243  -1.149  -0.499  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -1.356  -2.309   0.286  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.241  -3.265  -0.154  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -2.988  -3.111  -1.320  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -3.775  -4.246  -1.477  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.428  -4.444  -2.219  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -3.529  -5.118  -0.407  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -4.044  -6.205  -0.220  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -2.892  -1.992  -2.111  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -2.572  -4.493   0.408  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -2.214  -4.899   1.256  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -2.001  -0.997  -1.689  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.903   1.930  -0.286  0.00  0.00    +0.060 C 
ATOM     23  C   LIG    1       -1.851   2.817  -1.542  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -2.882   3.931  -1.449  0.00  0.00    +0.160 C 
ATOM     25  O   LIG    1       -2.684   4.795  -0.332  0.00  0.00    -0.380 OA
ATOM     26  C   LIG    1       -1.961   4.224   0.761  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1       -2.298   2.753   0.956  0.00  0.00    +0.039 C 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     28  C   LIG    1        7.317  -0.482   1.553  0.00  0.00    +0.128 C 
ATOM     29  N   LIG    1        5.922  -0.677   1.243  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1        5.696  -1.257   0.447  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        4.977   0.225   1.690  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        5.237   1.176   2.417  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 3