REMARK  Name = BDB039658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.427  -0.880   1.865  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.088  -1.490   0.618  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        1.592  -1.615   0.434  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1        2.547  -1.026   1.403  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1        1.957  -0.406   2.607  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1        0.791  -0.729  -0.472  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        0.568  -0.987   2.946  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.830  -0.615   0.988  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.686   0.175   1.766  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1        5.927   0.595   1.411  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        6.381   0.198   0.201  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        5.637  -0.600  -0.656  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.360  -1.002  -0.252  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.756   0.662  -0.181  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        7.935   0.982  -1.521  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.112   1.146  -2.086  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.176   1.567  -1.962  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.650   0.764   0.651  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1       -0.983   0.470   1.729  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.568   0.052  -1.604  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.615  -0.943  -0.482  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -7.582  -1.676  -0.305  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.523  -1.003   0.346  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.569  -1.677   1.097  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.389  -0.201   0.177  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.334   0.714  -0.872  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -3.280   1.524  -1.109  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -2.234   1.407  -0.257  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.187   0.521   0.820  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.304  -0.296   1.038  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -5.474   0.817  -1.776  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.920   0.884  -1.903  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -7.759   0.115  -2.519  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5