REMARK  Name = BDB022941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.575  -0.572  -0.960  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.361  -0.609  -0.269  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.212  -0.295   1.163  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -0.118   1.218   1.392  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        0.980  -1.053   1.776  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        2.214  -0.949   0.944  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        2.159  -0.703  -0.413  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        3.273  -0.637  -1.177  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        4.457  -0.840  -0.585  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        4.597  -1.097   0.715  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.475  -1.155   1.454  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        0.839  -0.464  -1.108  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -1.596  -0.527  -2.192  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -4.100  -0.198  -0.987  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.876  -0.661  -0.149  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.056  -2.098   0.377  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -3.922  -2.939  -0.560  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -5.271  -2.397  -0.752  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -6.277  -3.117   0.022  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -5.370  -0.946  -0.529  0.00  0.00    +0.093 C 
BRANCH  14  26
ATOM     21  C   LIG    1       -5.460   4.116   1.314  0.00  0.00    +0.065 C 
ATOM     22  C   LIG    1       -4.858   3.383   0.152  0.00  0.00    +0.038 A 
ATOM     23  N   LIG    1       -4.385   4.129  -0.871  0.00  0.00    -0.260 NA
ATOM     24  C   LIG    1       -3.842   3.469  -1.916  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -3.745   2.090  -1.990  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.237   1.319  -0.933  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1       -4.798   1.990   0.161  0.00  0.00    +0.027 A 
ENDBRANCH  14  26
ENDBRANCH   1  15
BRANCH   9  28
ATOM     28  N   LIG    1        5.543  -0.791  -1.427  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        5.178  -0.453  -2.313  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.811  -0.173  -1.036  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.683   1.310  -0.682  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        6.659   1.568   0.814  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        7.757   0.913   1.442  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.609  -0.504   1.385  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        7.635  -1.007  -0.051  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4