REMARK  Name = BDB037067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.290  -0.478  -0.223  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -2.529  -1.617  -0.258  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -2.891  -2.776  -0.214  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.137  -1.188  -0.371  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -1.126   0.194  -0.360  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.048   0.917  -0.437  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        1.250   0.195  -0.531  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        2.558   0.940  -0.607  0.00  0.00    +0.049 C 
ATOM      9  C   LIG    1        3.775   0.026  -0.349  0.00  0.00    +0.011 C 
ATOM     10  C   LIG    1        5.046   0.726  -0.890  0.00  0.00    +0.025 C 
ATOM     11  C   LIG    1        6.306   0.265  -0.163  0.00  0.00    +0.081 C 
ATOM     12  N   LIG    1        6.273   0.535   1.272  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1        6.813   1.371   1.491  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        4.930   0.664   1.835  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        3.933  -0.280   1.168  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        3.514  -1.281  -1.121  0.00  0.00    +0.236 C 
ATOM     17  O   LIG    1        2.357  -1.982  -0.656  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1        1.224  -1.219  -0.569  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1        0.023  -1.927  -0.471  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -2.510   0.645  -0.237  0.00  0.00    +0.255 C 
ATOM     21  O   LIG    1       -2.840   1.812  -0.149  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  28
ATOM     22  O   LIG    1       -8.333   0.991   1.373  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -7.263   0.557   0.958  0.00  0.00    +0.219 C 
ATOM     24  N   LIG    1       -6.256   0.208   1.823  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1       -6.432   0.392   2.802  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1       -4.980  -0.206   1.511  0.00  0.00    +0.240 C 
ATOM     27  O   LIG    1       -4.145  -0.373   2.398  0.00  0.00    -0.273 OA
ATOM     28  C   LIG    1       -4.722  -0.498   0.029  0.00  0.00    +0.171 C 
ATOM     29  C   LIG    1       -5.526   0.462  -0.844  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -7.004   0.320  -0.513  0.00  0.00    +0.098 C 
ENDBRANCH   1  28
TORSDOF 1