REMARK  Name = BDB012932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.656   0.268  -0.771  0.00  0.00    +0.094 C 
ATOM      2  C   LIG    1        1.737   0.460   0.427  0.00  0.00    +0.121 C 
ATOM      3  N   LIG    1        0.392   0.358  -0.119  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -0.701   0.489   0.726  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.538   0.698   1.927  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.418  -0.256  -1.440  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.857  -0.718  -1.626  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.018   0.371   0.155  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -2.419   0.852  -1.058  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -1.868   1.372  -1.732  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.704   0.606  -1.354  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -4.180   0.008  -0.255  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -3.168  -0.143   0.722  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.624  -0.401  -0.179  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -6.359   0.336   0.942  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.772  -1.914  -0.014  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     17  N   LIG    1        4.720   0.619   0.452  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1        4.365   1.552   0.613  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.022  -0.244  -0.367  0.00  0.00    +0.218 C 
ATOM     20  O   LIG    1        4.476  -1.313  -0.759  0.00  0.00    -0.275 OA
BRANCH  17  22
ATOM     21  C   LIG    1        7.096   0.740  -0.153  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        6.071   0.327   0.888  0.00  0.00    +0.101 C 
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 4