REMARK  Name = BDB047330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.261  -3.004   1.030  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.412  -2.122   0.976  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -4.649  -0.873   0.234  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.652   0.101   0.205  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -3.869   1.283  -0.513  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -5.080   1.483  -1.185  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -6.074   0.507  -1.147  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.400  -0.191   0.947  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -2.200  -1.304   1.590  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1       -5.861  -0.674  -0.438  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -3.191  -2.235   1.593  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1       -3.007  -3.089   2.110  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.269   0.826   0.968  0.00  0.00    +0.058 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.364   0.652  -0.252  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.769   1.679  -0.250  0.00  0.00    +0.002 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.658   1.610  -1.498  0.00  0.00    +0.015 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.382   0.273  -1.714  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.168  -0.175  -0.556  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        4.354   0.676  -0.320  0.00  0.00    +0.112 C 
ATOM     20  C   LIG    1        5.207   0.141   0.843  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1        5.630  -1.207   0.602  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1        4.485  -2.051   0.426  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1        3.619  -1.571  -0.749  0.00  0.00    +0.112 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   8  13
TORSDOF 6