REMARK  Name = BDB057894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.672   0.949   0.473  0.00  0.00    -0.247 N 
ATOM      2  N   LIG    1        1.209   1.813  -0.402  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        2.488   1.492  -0.542  0.00  0.00    -0.128 NA
ATOM      4  C   LIG    1        2.759   0.415   0.268  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        1.599   0.056   0.926  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -4.090   0.654  -0.877  0.00  0.00    +0.216 C 
ATOM      7  N   LIG    1       -3.061   1.139  -0.063  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1       -1.638   1.009  -0.410  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -0.732   1.031   0.830  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -1.029   2.254   1.703  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1       -2.510   2.288   2.070  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -3.398   2.250   0.830  0.00  0.00    +0.108 C 
ATOM     13  O   LIG    1       -5.259   1.012  -0.733  0.00  0.00    -0.276 OA
BRANCH   6  14
ATOM     14  C   LIG    1       -3.701  -0.362  -1.942  0.00  0.00    +0.096 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.499  -1.886  -3.784  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.909  -0.869  -2.731  0.00  0.00    +0.006 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1        4.070  -0.210   0.376  0.00  0.00    +0.093 A 
ATOM     18  N   LIG    1        5.020   0.256  -0.472  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        6.253  -0.288  -0.414  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        6.601  -1.295   0.461  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        5.618  -1.768   1.328  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1        4.333  -1.222   1.291  0.00  0.00    +0.045 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.982  -2.848   2.272  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        7.077  -3.370   2.367  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.955  -3.225   3.053  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        5.337  -3.932   3.616  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   4  17
TORSDOF 6