REMARK  Name = BDB004079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.350   2.008  -0.278  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.555   1.073  -0.178  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.696   0.812  -1.220  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.964   1.309  -2.062  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.567   0.044  -1.409  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1       -2.164  -0.096  -2.566  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.803  -0.538  -0.206  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -1.258   0.646   0.627  0.00  0.00    +0.112 C 
ATOM      9  C   LIG    1        0.216   0.630   1.021  0.00  0.00    +0.221 C 
ATOM     10  O   LIG    1        0.525   1.129   2.104  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        1.108   0.150   0.059  0.00  0.00    -0.271 N 
ATOM     12  C   LIG    1        0.558  -0.474  -1.139  0.00  0.00    +0.114 C 
ATOM     13  C   LIG    1       -0.611  -1.369  -0.750  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.671  -1.512   0.628  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -4.160  -1.220   0.782  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -4.499   0.229   1.067  0.00  0.00    +0.096 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.535   0.284   0.180  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        3.169   0.400   1.427  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        4.561   0.527   1.537  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        5.345   0.543   0.383  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        4.745   0.431  -0.873  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.352   0.302  -0.966  0.00  0.00    +0.026 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.803   0.676   0.489  0.00  0.00    +0.056 N 
ATOM     24  O   LIG    1        7.296   0.752   1.623  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        7.456   0.702  -0.565  0.00  0.00    -0.126 OA
ENDBRANCH  20  23
ENDBRANCH  11  17
TORSDOF 2