REMARK  Name = BDB037009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.725   0.306   0.009  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.377   0.453   0.219  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -0.210   1.497   0.441  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.232  -0.881   0.058  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        0.804  -1.744  -0.274  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.620  -3.095  -0.486  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.676  -3.581  -0.344  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.734  -2.713   0.001  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.545  -1.331   0.209  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        2.041  -0.974  -0.332  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        3.124  -1.438  -0.632  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        6.565   0.778  -1.244  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.409   1.007  -0.897  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.081   1.088   0.432  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.830   0.847   1.067  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.822   1.092   0.982  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.658   0.792   2.164  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        2.662   1.421   0.045  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        3.111   1.928  -1.324  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        4.288   1.157  -1.895  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -2.589  -0.474   0.554  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1       -3.746  -1.017   1.295  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.617   0.142   1.833  0.00  0.00    +0.100 C 
ATOM     24  N   LIG    1       -5.075   1.067   0.776  0.00  0.00    -0.313 NA
ATOM     25  H   LIG    1       -5.542   1.860   1.214  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.899   1.566   0.031  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -3.011   0.436  -0.538  0.00  0.00    +0.120 C 
ENDBRANCH   9  21
TORSDOF 2