REMARK  Name = BDB024587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.855  -1.723  -0.654  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.256  -0.487  -0.959  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.091   0.736  -1.062  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.995   0.691  -2.307  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.306   2.056  -1.118  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.113   2.011  -0.192  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.236   0.881  -0.643  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.830   1.000  -0.677  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.053   2.093  -0.407  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.204   1.728  -0.612  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.261   0.381  -0.925  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.041  -0.076  -1.051  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.599  -1.293  -1.449  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.996  -1.406  -1.414  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.824  -0.351  -1.008  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.278  -2.797  -0.519  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.406  -0.524  -1.211  0.00  0.00    +0.095 C 
ATOM     18  C   LIG    1       -2.832  -1.469  -0.005  0.00  0.00    -0.006 C 
ATOM     19  C   LIG    1       -2.746  -0.898   1.427  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -2.984  -2.011   2.445  0.00  0.00    +0.081 C 
ATOM     21  N   LIG    1       -1.945  -3.043   2.389  0.00  0.00    -0.316 NA
ATOM     22  H   LIG    1       -2.331  -3.927   2.718  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -1.349  -3.209   1.062  0.00  0.00    +0.081 C 
ATOM     24  C   LIG    1       -2.342  -2.929  -0.063  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -4.271  -1.358  -0.624  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -3.850   0.009  -1.195  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        6.860  -2.834  -0.121  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.206  -1.613  -0.469  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.328   2.716  -0.542  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.974   2.873   0.821  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -4.338   3.201   0.907  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.954   3.380   2.148  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.213   3.251   3.319  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.854   2.953   3.251  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.236   2.776   2.011  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 4