REMARK  Name = BDB012142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.062  -0.004   0.158  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.898  -0.536   0.707  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -0.827  -1.218   2.042  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        0.254  -0.381  -0.168  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.111   0.248  -1.343  0.00  0.00    +0.060 A 
ATOM      6  S   LIG    1       -1.768   0.615  -1.416  0.00  0.00    -0.081 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.628  -0.796   0.151  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.430  -1.043  -0.945  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.987  -1.157  -1.843  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.022  -0.929   1.304  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.767  -1.581  -0.792  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.786  -0.546  -0.390  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.928  -1.137   0.393  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        6.044  -2.346   0.570  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.863  -0.262   0.882  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        7.608  -0.685   1.421  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        6.845   1.093   0.673  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        7.947   1.895   1.290  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        5.859   1.621  -0.066  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.807   0.786  -0.634  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        3.821   1.534  -1.487  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -3.290   0.057   0.764  0.00  0.00    -0.319 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.530  -0.491   0.149  0.00  0.00    +0.110 C 
ATOM     24  C   LIG    1       -5.263   0.512  -0.760  0.00  0.00    +0.200 C 
ATOM     25  F   LIG    1       -6.141   1.230   0.008  0.00  0.00    -0.242 F 
ATOM     26  C   LIG    1       -6.043  -0.191  -1.881  0.00  0.00    +0.119 C 
ATOM     27  N   LIG    1       -6.622  -1.466  -1.453  0.00  0.00    -0.313 NA
ATOM     28  H   LIG    1       -7.207  -1.862  -2.188  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -5.615  -2.438  -1.029  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1       -4.289  -1.823  -0.571  0.00  0.00    +0.040 C 
ENDBRANCH  22  23
BRANCH  22  32
ATOM     31  C   LIG    1       -3.394   2.419   1.541  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -3.462   0.947   1.924  0.00  0.00    +0.102 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 6