REMARK  Name = BDB056512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.029   0.381  -0.856  0.00  0.00    +0.324 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.256  -0.907  -1.168  0.00  0.00    +0.253 C 
ATOM      3  N   LIG    1       -1.083  -0.950  -0.781  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.656  -0.002   0.174  0.00  0.00    +0.143 C 
ATOM      5  C   LIG    1       -3.162  -0.041   0.283  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -3.932  -0.979  -0.428  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -5.328  -0.969  -0.309  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -5.958  -0.052   0.531  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -5.200   0.867   1.251  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.261  -1.955  -1.358  0.00  0.00    +0.054 C 
ATOM     11  C   LIG    1       -3.810   0.874   1.128  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.811  -2.205  -0.954  0.00  0.00    +0.113 C 
ATOM     13  O   LIG    1        0.805  -1.852  -1.741  0.00  0.00    -0.272 OA
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  O   LIG    1        2.358   0.270  -1.377  0.00  0.00    -0.482 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.308   0.438   0.030  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1        3.252   1.036  -0.677  0.00  0.00    +0.133 A 
ATOM     17  C   LIG    1        3.134   2.432  -0.729  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        4.040   3.240  -0.044  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        5.074   2.659   0.684  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.208   1.269   0.719  0.00  0.00    +0.017 A 
BRANCH  15  24
ATOM     21  N   LIG    1        3.777  -1.872  -0.630  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        3.056  -1.549  -1.270  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        3.939  -2.867  -0.569  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1        4.541  -1.035   0.127  0.00  0.00    +0.245 C 
ATOM     25  O   LIG    1        5.401  -1.494   0.872  0.00  0.00    -0.270 OA
ENDBRANCH  15  24
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 4