REMARK  Name = BDB040636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.621   0.214  -0.105  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.574   0.803   0.553  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -1.600   1.682   1.394  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.355   0.177   0.048  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.730  -0.786  -0.861  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.202  -1.564  -1.505  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.552  -1.326  -1.201  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        1.978  -0.330  -0.276  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        0.971   0.422   0.360  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -2.189  -0.782  -0.938  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -2.841  -1.554  -1.614  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.037  -0.375   0.583  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.843  -0.121   0.455  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.899  -0.750   1.228  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.244  -1.467   1.851  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.529  -0.623   1.160  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.804  -1.325   1.861  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.011   0.480   0.230  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -4.931   0.623  -0.980  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -6.341   0.935  -0.502  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1        3.327  -0.133   0.013  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1        4.379  -0.774  -0.806  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1        5.803  -0.376  -0.350  0.00  0.00    +0.073 C 
ATOM     24  N   LIG    1        6.002   1.124  -0.372  0.00  0.00    -0.307 NA
ATOM     25  H   LIG    1        6.983   1.396  -0.302  0.00  0.00    +0.123 HD
ATOM     26  C   LIG    1        5.300   1.099   0.968  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        5.963  -0.284   1.188  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        3.763   1.035   0.812  0.00  0.00    +0.123 C 
ENDBRANCH   8  21
TORSDOF 2