REMARK  Name = BDB008444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.928  -2.036  -0.144  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.038  -1.180  -0.090  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -3.654  -1.641   0.105  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.384  -3.019   0.207  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.086  -3.486   0.402  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -1.014  -2.598   0.507  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.287  -1.224   0.410  0.00  0.00    +0.051 A 
ATOM      8  N   LIG    1       -0.453  -0.119   0.477  0.00  0.00    -0.342 N 
ATOM      9  C   LIG    1       -1.198   1.023   0.322  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -2.514   0.648   0.131  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -3.553   1.614  -0.097  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -3.107   3.072  -0.221  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1       -1.871   3.377   0.636  0.00  0.00    +0.012 C 
ATOM     14  N   LIG    1       -4.810   1.352  -0.248  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -0.699   2.430   0.331  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -2.588  -0.746   0.205  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1       -5.420   0.138  -0.214  0.00  0.00    -0.242 N 
ATOM     18  H   LIG    1       -6.426   0.210  -0.347  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  19
ATOM     19  C   LIG    1        0.992  -0.179   0.673  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.740  -0.267  -0.666  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.209  -0.330  -0.623  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1        3.725  -1.535   0.051  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1        5.262  -1.576   0.002  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1        5.828  -0.402   0.600  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        5.367   0.770  -0.088  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1        3.833   0.871  -0.039  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   8  19
TORSDOF 3