REMARK  Name = BDB037055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.616   0.097  -1.114  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.345  -0.452  -0.134  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -2.648  -0.560  -0.406  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1       -3.663  -1.130   0.499  0.00  0.00    +0.266 C 
ATOM      5  N   LIG    1       -4.904  -0.950  -0.123  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1       -4.725  -0.494  -1.502  0.00  0.00    +0.148 C 
ATOM      7  O   LIG    1       -3.449  -1.669   1.568  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.284  -0.181  -1.554  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.481   0.358  -2.500  0.00  0.00    +0.122 A 
ATOM     10  N   LIG    1       -1.155   0.506  -2.291  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.127  -1.622   0.340  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -7.338  -1.292  -0.550  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -7.460  -1.732  -1.693  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.212  -0.340  -0.082  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.946  -0.067  -0.721  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.026   0.498   0.988  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.715   1.505   1.122  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.896   0.159   1.928  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.495  -1.302   1.794  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  24
ATOM     20  C   LIG    1        4.855   1.121  -0.254  0.00  0.00    +0.403 C 
ATOM     21  N   LIG    1        3.498   0.896  -0.341  0.00  0.00    -0.264 N 
ATOM     22  C   LIG    1        2.845  -0.267   0.265  0.00  0.00    +0.130 C 
ATOM     23  C   LIG    1        1.317  -0.124   0.366  0.00  0.00    +0.127 C 
ATOM     24  N   LIG    1        0.741   0.233  -0.930  0.00  0.00    -0.297 N 
ATOM     25  C   LIG    1        1.495   1.117  -1.822  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1        2.650   1.822  -1.088  0.00  0.00    +0.130 C 
ATOM     27  O   LIG    1        5.412   2.097  -0.740  0.00  0.00    -0.226 OA
BRANCH  20  28
ATOM     28  O   LIG    1        5.488   0.132   0.427  0.00  0.00    -0.445 OA
BRANCH  28  30
ATOM     29  C   LIG    1        7.681   0.100  -0.696  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.923   0.164   0.634  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1        7.339   1.376   1.475  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.227  -1.113   1.433  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  20  28
ENDBRANCH   1  24
TORSDOF 4