REMARK  Name = BDB025017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.386  -0.944  -1.025  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.478  -1.245   0.004  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.862  -2.334   0.927  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.012  -1.904   1.851  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.721  -2.870   1.807  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.421  -2.905   1.033  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.116  -1.496   0.612  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.814  -0.958   0.684  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.330  -1.566   1.122  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.290  -0.675   1.001  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.798   0.524   0.497  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.559   0.353   0.288  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.587   1.169  -0.184  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.877   0.627  -0.266  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.158  -0.693   0.102  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.510  -1.433  -1.101  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.605   1.725   0.256  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.323   2.873   1.241  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -0.538   4.058   0.676  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -1.038   4.476  -0.705  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -0.954   3.322  -1.693  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.747   2.107  -1.230  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -0.580   5.228   1.633  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1        0.374   5.689   2.238  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -1.808   5.755   1.794  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -1.669   6.487   2.433  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.798   0.157  -3.063  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.898  -0.107  -1.986  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.716  -0.956   1.370  0.00  0.00    +0.078 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.586  -1.305   0.148  0.00  0.00    -0.004 C 
ATOM     31  C   LIG    1       -3.132  -2.615  -0.530  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -4.239  -3.313  -1.325  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -5.292  -2.335  -1.825  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -5.971  -1.597  -0.671  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -5.064  -1.394   0.546  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6