REMARK  Name = BDB006639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.135   1.976   1.798  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.667   0.726   1.156  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.367   0.319   0.872  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.046   0.721   0.997  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.737  -0.464   0.393  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.208  -1.443  -0.051  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        0.002  -2.518  -0.582  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.481  -0.902   0.277  0.00  0.00    +0.137 A 
ATOM      9  N   LIG    1       -2.802  -1.211   0.193  0.00  0.00    -0.209 N 
ATOM     10  N   LIG    1       -3.546  -0.202   0.744  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        2.132  -0.572   0.349  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.947   0.348   0.903  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.330   0.253   0.869  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        5.112   1.308   1.497  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.993  -0.808   0.262  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        6.215  -0.928   0.221  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.114  -1.838  -0.370  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.799  -2.983  -1.047  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.779  -1.696  -0.312  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1        0.177   2.019   0.223  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.225   3.237   0.927  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.341   4.452   0.248  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.409   4.466  -1.142  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.551   5.963  -1.976  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.361   3.275  -1.860  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.245   2.058  -1.182  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.478  -2.307  -0.324  0.00  0.00    +0.155 A 
ATOM     28  N   LIG    1       -4.841  -2.500  -0.352  0.00  0.00    -0.319 N 
ATOM     29  C   LIG    1       -5.895  -1.641   0.133  0.00  0.00    +0.152 C 
ATOM     30  C   LIG    1       -5.069  -3.711  -0.951  0.00  0.00    +0.200 A 
ATOM     31  N   LIG    1       -3.951  -4.297  -1.304  0.00  0.00    -0.242 NA
ATOM     32  C   LIG    1       -2.954  -3.434  -0.920  0.00  0.00    +0.158 A 
ENDBRANCH   9  27
TORSDOF 3