REMARK  Name = BDB032538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.803   0.930  -0.148  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        1.344   2.079  -0.776  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.992   3.034  -1.159  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.110   1.941  -0.904  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.031   2.837  -1.417  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -2.373   2.446  -1.432  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -2.760   1.187  -0.931  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -4.157   0.755  -0.986  0.00  0.00    +0.011 C 
ATOM      9  C   LIG    1       -4.529  -0.357  -0.339  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -3.509  -1.096   0.489  0.00  0.00    +0.154 C 
ATOM     11  C   LIG    1       -3.720  -0.914   2.026  0.00  0.00    +0.134 C 
ATOM     12  N   LIG    1       -4.479  -2.180   2.083  0.00  0.00    -0.308 NA
ATOM     13  H   LIG    1       -5.490  -2.043   2.051  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -3.901  -2.578   0.783  0.00  0.00    +0.134 C 
ATOM     15  O   LIG    1       -2.123  -0.936   0.054  0.00  0.00    -0.478 OA
ATOM     16  C   LIG    1       -1.792   0.309  -0.414  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -0.467   0.689  -0.411  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        0.742  -0.054   0.037  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  25
ATOM     19  O   LIG    1        6.484  -1.913   0.128  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        5.564  -1.103   0.064  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1        4.909  -0.867  -1.117  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1        5.186  -1.467  -1.883  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        3.663  -0.296  -1.253  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1        2.987  -0.517  -2.255  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        3.222   0.601  -0.084  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1        3.606  -0.071   1.231  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        5.109  -0.300   1.261  0.00  0.00    +0.098 C 
ENDBRANCH   1  25
TORSDOF 1