REMARK  Name = BDB024516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.471   1.008  -0.793  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.694   0.026  -0.153  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.299  -1.280   0.209  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.312  -1.127   1.358  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.297  -2.368   0.628  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.051  -2.305  -0.224  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.438  -0.950  -0.023  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.043  -0.778   0.100  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.054  -1.727   0.092  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.082  -1.080   0.250  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.863   0.284   0.335  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.502   0.492   0.253  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.305   1.635   0.290  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.689   1.456   0.160  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.271   0.191  -0.002  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.082   2.104  -1.182  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.886   1.317   0.492  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -1.925   2.310  -0.687  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -2.265   3.744  -0.267  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -3.327   3.817   0.831  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.965   2.985   2.073  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -1.801   2.015   1.855  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.667   3.392   0.269  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -5.051   2.245   0.110  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.434   4.433  -0.100  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -6.252   4.020  -0.451  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.587   1.548  -1.671  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.760   0.598  -0.997  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.414  -1.756   0.317  0.00  0.00    +0.084 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.054  -1.849  -1.064  0.00  0.00    +0.105 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.331  -2.592  -1.000  0.00  0.00    +0.218 A 
ATOM     32  O   LIG    1       -4.321  -3.903  -1.395  0.00  0.00    -0.425 OA
ATOM     33  C   LIG    1       -5.628  -4.257  -1.197  0.00  0.00    +0.214 A 
ATOM     34  C   LIG    1       -6.007  -5.641  -1.524  0.00  0.00    +0.111 C 
ATOM     35  N   LIG    1       -6.361  -3.271  -0.727  0.00  0.00    -0.113 NA
ATOM     36  N   LIG    1       -5.517  -2.187  -0.599  0.00  0.00    -0.112 NA
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7