REMARK  Name = BDB027954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.373  -0.619   1.478  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -4.252   0.018   0.812  0.00  0.00    -0.300 N 
ATOM      3  C   LIG    1       -2.963  -0.433   1.108  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -2.719  -1.246   1.996  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -1.849   0.116   0.280  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -2.082   1.143  -0.641  0.00  0.00    -0.034 A 
ATOM      7  C   LIG    1       -1.005   1.657  -1.366  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.282   1.132  -1.194  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        0.529   0.080  -0.308  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -3.458   1.726  -0.783  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1       -0.553  -0.395   0.448  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -4.511   0.672  -0.462  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1        1.797  -0.442  -0.030  0.00  0.00    -0.333 N 
ATOM     14  H   LIG    1        1.717  -1.416   0.262  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.954  -0.181  -0.902  0.00  0.00    +0.158 C 
ATOM     16  C   LIG    1        3.574   1.194  -0.616  0.00  0.00    +0.239 C 
ATOM     17  O   LIG    1        3.459   2.156  -1.376  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1        4.321   1.299   0.533  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        4.719   2.213   0.694  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        5.032   0.273   1.096  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        5.997   0.497   1.821  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        4.572  -1.130   0.780  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        4.035  -1.234  -0.642  0.00  0.00    +0.041 C 
ENDBRANCH  13  15
ENDBRANCH   9  13
TORSDOF 2