REMARK  Name = BDB032949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.013  -0.296  -0.621  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.162  -1.027  -0.602  0.00  0.00    -0.276 N 
ATOM      3  H   LIG    1        0.100  -2.029  -0.721  0.00  0.00    +0.156 HD
ATOM      4  O   LIG    1       -1.166   0.878  -0.299  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.478  -0.815  -0.393  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.231  -1.078  -1.008  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.125  -2.077  -1.994  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.235  -2.846  -2.336  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.453  -2.618  -1.706  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.575  -1.608  -0.746  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -4.391   1.856   2.124  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.669   0.625   1.297  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.580   0.246   0.541  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.741   0.827   0.616  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.752   0.054   1.367  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        1.429  -0.548  -0.320  0.00  0.00    +0.072 A 
ATOM     17  S   LIG    1        1.760   1.100  -0.102  0.00  0.00    -0.078 S 
ATOM     18  C   LIG    1        3.429   0.818   0.164  0.00  0.00    -0.006 A 
ATOM     19  C   LIG    1        3.723  -0.530   0.076  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        2.568  -1.316  -0.208  0.00  0.00    +0.031 A 
BRANCH  18  21
ATOM     21  C   LIG    1        4.355   1.978   0.446  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        5.428   2.098  -0.638  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        4.996   1.842   1.829  0.00  0.00    +0.013 C 
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4