REMARK  Name = BDB025238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.156  -1.131   0.351  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.297  -0.160  -0.191  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.925   1.107  -0.626  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.761   0.909  -1.901  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.945   2.264  -0.878  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.820   2.242   0.134  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.107   0.930  -0.020  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.700   0.834   0.016  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.226   1.833   0.177  0.00  0.00    -0.194 NA
ATOM     10  C   LIG    1       -1.397   1.239   0.148  0.00  0.00    +0.305 A 
ATOM     11  N   LIG    1       -1.270  -0.117  -0.051  0.00  0.00    -0.291 N 
ATOM     12  C   LIG    1        0.078  -0.403  -0.129  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1        0.805  -1.580  -0.320  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.202  -1.476  -0.342  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.865  -0.252  -0.177  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.381  -1.041   0.330  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.384  -1.058  -0.134  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -2.398  -2.042   1.043  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.635  -2.945   1.021  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -4.008  -3.463  -0.380  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.901  -3.230  -1.410  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.466  -1.763  -1.502  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.304  -2.839  -0.879  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -5.659  -1.697  -0.633  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -6.023  -3.661  -1.674  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -5.629  -4.543  -1.816  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.392  -3.118   1.584  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.520  -2.165   0.975  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  O   LIG    1       -2.590   1.824   0.252  0.00  0.00    -0.425 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -2.742   3.139   0.618  0.00  0.00    +0.132 A 
ATOM     31  C   LIG    1       -1.960   3.775   1.584  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -2.221   5.103   1.929  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -3.272   5.791   1.322  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.067   5.150   0.372  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -3.806   3.823   0.027  0.00  0.00    +0.046 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6