REMARK  Name = BDB037044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.487  -0.037   0.614  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.498  -0.828  -0.519  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.455  -1.268  -1.122  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.099  -1.025  -0.914  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.284  -0.292  -0.047  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -1.102  -0.284  -0.180  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -1.605  -1.020  -1.265  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -0.775  -1.760  -2.136  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.604  -1.769  -1.963  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.148   0.442   0.928  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.441  -0.102  -0.372  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.323   0.043   0.117  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        5.617   1.199  -0.093  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.053   1.865  -0.716  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.360   1.526   0.346  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.813   2.562  -0.033  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        3.662   0.526   1.269  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        4.617  -0.487   1.896  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        5.667  -1.032   0.945  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  N   LIG    1       -1.864   0.508   0.659  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1       -1.473   0.597   1.593  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.322   0.684   0.662  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1       -4.093  -0.609   0.953  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.402  -0.677   0.166  0.00  0.00    +0.082 C 
ATOM     25  N   LIG    1       -6.086   0.608   0.205  0.00  0.00    -0.316 NA
ATOM     26  H   LIG    1       -7.016   0.531  -0.208  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -5.339   1.677  -0.462  0.00  0.00    +0.082 C 
ATOM     28  C   LIG    1       -3.831   1.432  -0.569  0.00  0.00    +0.037 C 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 3