REMARK  Name = BDB057272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.942  -0.746  -0.441  0.00  0.00    +0.012 A 
ATOM      2  C   LIG    1        1.385  -1.237   0.795  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1        2.659  -0.925   1.267  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.513  -0.137   0.493  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        3.105   0.363  -0.752  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.812   0.056  -1.203  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.024   1.187  -1.526  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1        5.297   1.526  -1.067  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        5.799   2.259  -2.024  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1        7.059   2.981  -2.283  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1        6.655   3.888  -3.474  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        5.442   3.207  -4.137  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1        4.928   2.396  -3.056  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1        3.789   1.736  -2.781  0.00  0.00    +0.115 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  C   LIG    1       -0.445  -1.038  -0.949  0.00  0.00    +0.143 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.722  -0.172  -0.696  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1       -1.433  -0.275  -0.223  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -1.278  -0.196   0.773  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -3.076  -0.599  -1.789  0.00  0.00    -0.270 OA
BRANCH  16  25
ATOM     20  C   LIG    1       -6.035   0.709   0.891  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -5.644   1.613   1.895  0.00  0.00    -0.009 A 
ATOM     22  C   LIG    1       -6.666   2.242   2.803  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1       -4.289   1.950   2.037  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.327   1.382   1.201  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -3.712   0.465   0.218  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -5.067   0.141   0.058  0.00  0.00    +0.059 A 
BRANCH  20  28
ATOM     27  C   LIG    1       -7.822  -0.410  -0.226  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -7.380   0.452   0.815  0.00  0.00    -0.495 OA
ENDBRANCH  20  28
ENDBRANCH  16  25
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   2  29
ATOM     29  O   LIG    1        0.504  -1.974   1.550  0.00  0.00    -0.488 OA
BRANCH  29  30
ATOM     30  C   LIG    1        0.989  -3.244   2.041  0.00  0.00    +0.173 C 
ATOM     31  C   LIG    1       -0.117  -4.209   2.542  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        0.708  -5.364   1.944  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        1.330  -4.331   0.987  0.00  0.00    +0.044 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 7