REMARK  Name = BDB024500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.460  -1.827   0.565  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.719  -0.633   0.561  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.466   0.607   0.864  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.398   0.998  -0.294  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.591   1.826   1.198  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.381   1.411   2.006  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.599   0.439   1.171  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.192   0.485   1.087  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.322   1.359   1.678  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.890   1.018   1.280  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.837  -0.105   0.472  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.503  -0.436   0.312  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.165  -1.422  -0.426  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.563  -1.466  -0.333  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.288  -0.572   0.465  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.685  -1.865   0.650  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.918  -0.857  -0.159  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.327  -0.283  -1.526  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.775  -0.606  -1.905  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -4.188  -2.018  -1.468  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -4.026  -2.230   0.047  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -3.129  -1.185   0.722  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.622  -2.309  -1.881  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -6.458  -1.462  -2.150  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.903  -3.632  -1.906  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -5.154  -4.210  -1.667  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.454  -4.177   0.607  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.705  -2.963   0.539  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.111   1.794   1.684  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.735   2.614   0.577  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -1.949   3.456  -0.226  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.531   4.222  -1.237  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.907   4.167  -1.449  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.702   3.356  -0.643  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.122   2.591   0.371  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6