REMARK  Name = BDB031323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.453  -0.537  -0.378  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.832  -1.381  -1.308  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        0.447  -1.359  -1.420  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1       -0.395  -2.198  -2.324  0.00  0.00    +0.056 C 
ATOM      5  C   LIG    1       -1.801  -1.657  -2.041  0.00  0.00    +0.120 C 
ATOM      6  N   LIG    1       -1.701  -0.684  -0.938  0.00  0.00    -0.255 N 
ATOM      7  C   LIG    1       -2.755  -0.047  -0.285  0.00  0.00    +0.311 C 
ATOM      8  N   LIG    1       -3.997  -0.326  -0.837  0.00  0.00    -0.269 N 
ATOM      9  H   LIG    1       -3.991  -0.744  -1.751  0.00  0.00    +0.156 HD
ATOM     10  O   LIG    1       -2.601   0.685   0.688  0.00  0.00    -0.252 OA
ATOM     11  C   LIG    1       -0.334  -0.521  -0.627  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        0.265   0.316   0.297  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        1.663   0.306   0.418  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -5.265   0.063  -0.351  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -5.467   0.668   0.896  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -6.763   0.982   1.240  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -7.844   0.714   0.405  0.00  0.00    +0.067 A 
ATOM     18  N   LIG    1       -8.999   1.148   1.045  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1       -9.945   1.099   0.706  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1       -8.647   1.693   2.289  0.00  0.00    +0.325 A 
ATOM     21  O   LIG    1       -9.407   2.169   3.113  0.00  0.00    -0.247 OA
ATOM     22  C   LIG    1       -7.688   0.116  -0.819  0.00  0.00    +0.029 A 
ATOM     23  N   LIG    1       -7.254   1.581   2.395  0.00  0.00    -0.306 N 
ATOM     24  H   LIG    1       -6.719   1.897   3.188  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -6.378  -0.212  -1.193  0.00  0.00    +0.025 A 
ENDBRANCH   8  14
BRANCH   1  27
ATOM     26  C   LIG    1        4.695   0.118   0.507  0.00  0.00    +0.405 C 
ATOM     27  N   LIG    1        3.855  -0.593  -0.302  0.00  0.00    -0.251 N 
ATOM     28  H   LIG    1        4.340  -1.234  -0.913  0.00  0.00    +0.158 HD
ATOM     29  O   LIG    1        4.400   0.959   1.339  0.00  0.00    -0.226 OA
BRANCH  26  30
ATOM     30  O   LIG    1        5.963  -0.278   0.224  0.00  0.00    -0.444 OA
BRANCH  30  32
ATOM     31  C   LIG    1        7.045  -0.014   2.424  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.098   0.297   0.924  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1        8.323  -0.408   0.321  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        7.217   1.801   0.652  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH   1  27
TORSDOF 4