REMARK  Name = BDB059762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.231  -1.848   2.244  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.438  -1.379   1.810  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.540  -1.904   2.491  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        3.840  -1.512   2.157  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        4.060  -0.593   1.129  0.00  0.00    +0.086 A 
ATOM      6  C   LIG    1        2.953  -0.056   0.460  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.650  -0.449   0.794  0.00  0.00    +0.048 A 
BRANCH   5   8
ATOM      8  N   LIG    1        5.377  -0.194   0.835  0.00  0.00    -0.149 NA
ATOM      9  N   LIG    1        5.656  -0.430  -0.361  0.00  0.00    -0.149 NA
BRANCH   9  10
ATOM     10  C   LIG    1        6.979  -0.047  -0.642  0.00  0.00    +0.086 A 
ATOM     11  C   LIG    1        7.390   1.292  -0.578  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        8.705   1.651  -0.890  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        9.623   0.672  -1.281  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        9.219  -0.664  -1.361  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        7.902  -1.017  -1.047  0.00  0.00    +0.031 A 
BRANCH  13  16
ATOM     16  C   LIG    1       10.973   1.037  -1.602  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1       12.064   1.333  -1.863  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   9  10
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.955  -1.436   1.563  0.00  0.00    +0.233 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.499  -0.137   2.159  0.00  0.00    +0.076 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -5.131   1.067   0.184  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1       -5.192   0.235   1.299  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.014  -0.159   1.937  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -2.772   0.304   1.482  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1       -2.728   1.172   0.383  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -3.907   1.565  -0.253  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -6.285   1.505  -0.399  0.00  0.00    -0.475 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -7.241  -0.696  -1.037  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1       -6.800   0.698  -1.492  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1       -5.842   0.635  -2.686  0.00  0.00    +0.067 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -8.065   1.444  -1.963  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -8.786   1.081  -2.882  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -8.323   2.572  -1.252  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -7.630   2.686  -0.563  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11