REMARK  Name = BDB032461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585   1.475   0.688  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -0.941   1.942  -0.527  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.060   2.365  -1.320  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        1.402   2.346  -0.957  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.755   1.833   0.299  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.729   1.383   1.132  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.605   1.058   1.510  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.220   2.193   2.107  0.00  0.00    +0.234 C 
BRANCH   8  14
ATOM      9  C   LIG    1       -6.582  -3.149   0.778  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -5.854  -1.862   0.809  0.00  0.00    +0.056 A 
ATOM     11  N   LIG    1       -5.490  -1.295   1.998  0.00  0.00    -0.238 NA
ATOM     12  C   LIG    1       -4.872  -0.165   1.702  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -4.329   0.845   2.660  0.00  0.00    +0.081 C 
ATOM     14  C   LIG    1       -3.758   2.127   2.018  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -4.277   2.377   0.585  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1       -4.234   1.140  -0.314  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1       -4.828   0.000   0.345  0.00  0.00    -0.334 N 
ATOM     18  C   LIG    1       -5.442  -1.067  -0.240  0.00  0.00    +0.110 A 
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  19
ATOM     19  C   LIG    1        3.192   1.815   0.776  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.094   1.150  -0.156  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1        4.137   1.633  -1.046  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.140  -0.249  -0.325  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        4.924  -0.813  -1.385  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        4.966  -2.218  -1.560  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        5.694  -2.731  -2.653  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        6.406  -1.974  -3.507  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        6.404  -0.652  -3.292  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        4.297  -3.047  -0.637  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        3.595  -2.508   0.428  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.687  -0.036  -2.281  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        3.525  -1.123   0.582  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     32  N   LIG    1        5.715  -4.092  -2.943  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        6.264  -4.177  -3.798  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        4.769  -4.433  -3.072  0.00  0.00    +0.144 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7