REMARK  Name = BDB021147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.728  -0.845  -0.182  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.854   0.188  -0.378  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -2.094   1.347  -0.655  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.512  -0.348  -0.168  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.643  -1.686   0.140  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.454  -2.484   0.375  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.716  -1.877   0.299  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        1.870  -0.496   0.022  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.722   0.268  -0.247  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -2.068  -2.006   0.122  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -2.522  -3.117   0.315  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.956   2.854  -1.356  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.455   1.767  -1.080  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.433   1.316   0.214  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.753   1.989   0.897  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.693   0.275   0.717  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -4.433   0.218   1.919  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.177  -0.754  -0.287  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -4.713  -0.553  -1.702  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.792   0.902  -2.124  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1        3.117   0.116  -0.136  0.00  0.00    -0.337 N 
ATOM     22  H   LIG    1        3.080   1.121   0.031  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.306  -0.465   0.486  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.503   0.418   0.383  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1        5.597   1.427   1.298  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1        6.739   2.107   1.022  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1        7.379   1.554  -0.062  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        6.578   0.463  -0.480  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4