REMARK  Name = BDB043122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.926  -1.617   0.927  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -2.377  -1.312  -0.393  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1       -0.956  -0.871  -0.381  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -0.042  -1.797   0.450  0.00  0.00    +0.059 C 
ATOM      5  C   LIG    1        1.403  -1.357   0.363  0.00  0.00    -0.034 A 
ATOM      6  C   LIG    1        1.703   0.031   0.333  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        0.571   1.004   0.395  0.00  0.00    -0.009 A 
ATOM      8  C   LIG    1        0.724   2.336   0.816  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.345   3.236   0.821  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.604   2.826   0.402  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -1.810   1.505  -0.003  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1       -3.188   1.069  -0.429  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1        3.064   0.368   0.226  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        4.059  -0.617   0.163  0.00  0.00    +0.159 A 
ATOM     15  C   LIG    1        3.751  -1.962   0.257  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        2.417  -2.334   0.357  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -0.738   0.585   0.034  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -3.189  -0.309  -1.101  0.00  0.00    +0.089 C 
ENDROOT
BRANCH  13  19
ATOM     19  O   LIG    1        3.494   1.670   0.173  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1        4.319   1.695   0.694  0.00  0.00    +0.292 HD
ENDBRANCH  13  19
BRANCH  14  21
ATOM     21  O   LIG    1        5.364  -0.257  -0.035  0.00  0.00    -0.503 OA
ATOM     22  H   LIG    1        5.339   0.450  -0.707  0.00  0.00    +0.292 HD
ENDBRANCH  14  21
TORSDOF 2