REMARK  Name = BDB009029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.314  -1.833  -0.121  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.367  -1.498   0.743  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.654  -2.036   0.568  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.867  -2.948  -0.471  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.827  -3.284  -1.334  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.557  -2.726  -1.163  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.115  -1.401  -0.585  0.00  0.00    +0.218 C 
ATOM      8  N   LIG    1        0.939  -1.236   0.131  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        0.982  -0.619   0.932  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.271  -2.093  -1.584  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.247  -0.590   0.021  0.00  0.00    +0.101 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.557  -0.781  -0.740  0.00  0.00    +0.044 C 
BRANCH  12  16
ATOM     13  C   LIG    1        7.703   1.597   1.035  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        6.942   2.109  -0.015  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.929   1.336  -0.593  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        5.666   0.041  -0.131  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        6.429  -0.468   0.925  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        7.439   0.307   1.501  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        9.056   3.542   1.217  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        8.716   2.244   1.687  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.769  -1.670   1.520  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.075  -1.291   0.827  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -5.176   0.009   0.090  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.023   0.973   0.055  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -4.417   2.371  -0.432  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.325   2.289  -1.652  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.601   1.506  -1.335  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -6.344   0.265  -0.525  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -7.464  -0.705  -0.431  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -8.548  -0.495  -0.966  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -7.215  -1.838   0.293  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -7.967  -2.515   0.369  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -6.047  -2.150   0.915  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7