REMARK  Name = BDB008906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.381  -1.416   0.293  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.820  -1.255   1.567  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -0.692  -0.451   1.752  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.093   0.197   0.664  0.00  0.00    -0.033 A 
ATOM      5  C   LIG    1       -0.645   0.022  -0.613  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.772  -0.782  -0.798  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.592  -2.299   0.099  0.00  0.00    +0.092 C 
BRANCH   7  16
ATOM      8  O   LIG    1       -7.535  -0.028  -3.014  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -6.675  -0.498  -2.277  0.00  0.00    +0.268 A 
ATOM     10  C   LIG    1       -6.460   0.011  -0.899  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -7.339   1.151  -0.464  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -6.855   1.823   0.823  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -6.416   0.786   1.849  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -5.284  -0.088   1.299  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -5.518  -0.541  -0.115  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -4.706  -1.647  -0.716  0.00  0.00    +0.069 A 
ATOM     17  N   LIG    1       -4.883  -2.102  -1.921  0.00  0.00    -0.175 NA
ATOM     18  N   LIG    1       -5.861  -1.526  -2.669  0.00  0.00    -0.243 N 
ATOM     19  H   LIG    1       -5.990  -1.888  -3.608  0.00  0.00    +0.192 HD
ENDBRANCH   7  16
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        1.124   1.077   0.860  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.302   0.634   0.095  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        2.750  -0.707   0.504  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1        4.220  -0.959   0.171  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        5.114   0.003   0.972  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1        4.463   1.390   1.137  0.00  0.00    +0.023 C 
ATOM     26  C   LIG    1        3.369   1.643   0.100  0.00  0.00    +0.085 C 
BRANCH  24  27
ATOM     27  C   LIG    1        6.522   0.074   0.404  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1        6.778   0.575  -0.881  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.081   0.634  -1.378  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.148   0.195  -0.599  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.911  -0.306   0.679  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.608  -0.366   1.177  0.00  0.00    +0.004 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5