REMARK  Name = BDB028542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.404   1.717  -0.771  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.556   1.122   0.292  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.764   0.605   0.687  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.950   0.783  -0.141  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -5.125   0.494   0.801  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -4.523  -0.518   1.783  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -3.100  -0.009   1.962  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1       -0.537   0.951   1.193  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -0.585   0.092   1.719  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -6.393   0.033   0.124  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -6.428  -1.114  -0.683  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -7.615  -1.519  -1.297  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -8.783  -0.784  -1.113  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.765   0.356  -0.314  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.579   0.762   0.300  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1        0.816   1.354   0.842  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.546   0.244   0.061  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.641  -0.902   0.933  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        2.282  -0.682   1.631  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.949   0.729  -0.384  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.578  -0.067  -1.457  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        4.858   0.529  -1.888  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        6.026   0.255  -0.963  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        6.019  -0.860  -0.104  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        7.128  -1.114   0.714  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        8.245  -0.280   0.666  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.261   0.814  -0.196  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.800  -1.745  -0.017  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        7.160   1.079  -1.010  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.793  -1.488  -1.148  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 6