REMARK  Name = BDB032539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.970  -0.177  -0.144  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        1.791  -1.499   0.236  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.630  -2.366   0.380  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.354  -1.684   0.465  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.336  -2.834   0.795  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -1.718  -2.728   0.963  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -2.375  -1.486   0.807  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -3.867  -1.405   0.986  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -4.327   0.035   1.179  0.00  0.00    +0.055 C 
ATOM     10  C   LIG    1       -3.652   0.919   0.130  0.00  0.00    +0.136 C 
ATOM     11  C   LIG    1       -4.170   0.794  -1.331  0.00  0.00    +0.130 C 
ATOM     12  N   LIG    1       -5.074   1.940  -1.105  0.00  0.00    -0.308 NA
ATOM     13  H   LIG    1       -6.023   1.666  -0.850  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -4.250   2.350   0.050  0.00  0.00    +0.130 C 
ATOM     15  O   LIG    1       -2.208   0.887   0.291  0.00  0.00    -0.483 OA
ATOM     16  C   LIG    1       -1.637  -0.345   0.455  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1       -0.271  -0.452   0.297  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        0.738   0.594  -0.027  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  25
ATOM     19  O   LIG    1        7.321   1.046   0.332  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.130   0.807   0.156  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1        5.235   0.868   1.194  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1        5.624   1.086   2.102  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        3.864   0.762   1.139  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1        3.184   0.989   2.139  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        3.268   0.481  -0.249  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1        4.270  -0.275  -1.121  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        5.560   0.524  -1.215  0.00  0.00    +0.098 C 
ENDBRANCH   1  25
TORSDOF 1