REMARK  Name = BDB013867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.656  -0.519  -0.149  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.047   0.086   1.083  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.595   0.790   1.873  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.417  -0.160   1.224  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.108  -1.212   0.536  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.484  -2.450   0.270  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.181  -3.451  -0.430  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.494  -3.248  -0.843  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.128  -2.047  -0.553  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.103  -2.766   0.786  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.443  -1.042   0.135  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.983  -1.997   0.052  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.572   0.216  -1.568  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        1.873   0.256  -0.383  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.190   0.845   0.381  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.210  -0.475  -2.518  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.828   1.116  -1.587  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.149   1.513  -3.030  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.955   0.261   0.422  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.006   0.417  -1.023  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.846   0.941  -1.267  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.143   0.647   2.209  0.00  0.00    +0.156 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.764   1.889   1.618  0.00  0.00    +0.007 A 
ATOM     24  S   LIG    1       -1.847   3.010   0.698  0.00  0.00    -0.100 S 
ATOM     25  C   LIG    1       -3.196   4.028   0.458  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1       -4.324   3.547   1.081  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.073   2.319   1.759  0.00  0.00    +0.013 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5