REMARK  Name = BDB057910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.746   0.777   0.704  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        2.515   1.666   1.723  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1        1.268   1.496   2.145  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        0.721   0.512   1.409  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1        1.607   0.032   0.489  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.269   1.282  -0.409  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.091   1.441   0.321  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.998   0.658  -0.020  0.00  0.00    +0.093 A 
ATOM      9  N   LIG    1        4.029  -0.249  -1.030  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.184  -0.380  -1.718  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.321   0.355  -1.449  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        8.539   2.001  -0.725  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.486   2.072  -0.118  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.325   2.909   0.919  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.190   3.362   1.004  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.671   0.085   1.609  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1       -0.853  -1.434   1.689  0.00  0.00    +0.136 C 
ATOM     18  N   LIG    1       -1.699  -1.321   0.517  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -2.478  -2.265  -0.084  0.00  0.00    +0.220 C 
ATOM     20  O   LIG    1       -2.510  -3.431   0.310  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -1.508   0.099   0.324  0.00  0.00    +0.136 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.296  -1.805  -1.278  0.00  0.00    +0.131 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.539  -1.034  -0.905  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -4.829   0.186  -1.532  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.980   0.900  -1.197  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.859   0.399  -0.239  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.592  -0.822   0.377  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.442  -1.538   0.042  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   4  16
TORSDOF 6