REMARK  Name = BDB017126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.425  -2.511  -0.315  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1       -0.068  -1.348  -0.135  0.00  0.00    +0.169 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.072  -0.220   0.089  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -2.438  -0.598  -0.518  0.00  0.00    +0.095 C 
ATOM      5  N   LIG    1       -3.450   0.364  -0.064  0.00  0.00    -0.301 NA
ATOM      6  C   LIG    1       -3.703   0.223   1.382  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -2.506  -0.320   2.175  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -1.177   0.134   1.583  0.00  0.00    +0.014 C 
BRANCH   5   9
ATOM      9  C   LIG    1       -4.682   0.253  -0.853  0.00  0.00    +0.088 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.578   1.429  -0.592  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -7.001   1.409  -1.092  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -6.726   1.342   0.383  0.00  0.00    +0.005 C 
ENDBRANCH   9  10
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  C   LIG    1        1.394  -1.051  -0.125  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        1.920   0.205   0.128  0.00  0.00    +0.122 A 
ATOM     15  N   LIG    1        3.248   0.486   0.141  0.00  0.00    -0.254 NA
ATOM     16  C   LIG    1        4.124  -0.521  -0.115  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        3.675  -1.816  -0.369  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        2.303  -2.080  -0.374  0.00  0.00    +0.015 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.555  -0.152  -0.093  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.512  -0.806  -0.892  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        7.864  -0.447  -0.853  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        8.290   0.580  -0.016  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        7.365   1.251   0.778  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.015   0.890   0.736  0.00  0.00    +0.010 A 
ENDBRANCH  16  19
ENDBRANCH   2  13
TORSDOF 5