REMARK  Name = BDB029531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.124   1.266  -0.649  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -5.101   0.702  -0.300  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -4.974  -0.628  -0.077  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.774  -1.242  -0.051  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.790  -0.938   0.509  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1       -3.551  -1.972   1.108  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.827   0.211   0.275  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -1.942   0.445   1.507  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1       -0.655  -0.380   1.448  0.00  0.00    +0.108 C 
ATOM     10  N   LIG    1        0.109  -0.034   0.254  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -0.596   0.487  -0.914  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -2.002  -0.105  -0.990  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -3.803   1.379   0.043  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        1.465  -0.194   0.175  0.00  0.00    +0.162 A 
ATOM     15  S   LIG    1        2.409  -1.007   1.379  0.00  0.00    -0.052 S 
ATOM     16  C   LIG    1        3.844  -0.735   0.480  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        3.519  -0.044  -0.683  0.00  0.00    +0.080 A 
ATOM     18  C   LIG    1        4.550   0.292  -1.585  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        5.870  -0.071  -1.298  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        6.172  -0.761  -0.129  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.166  -1.105   0.780  0.00  0.00    +0.017 A 
ATOM     22  N   LIG    1        2.177   0.250  -0.840  0.00  0.00    -0.225 NA
ENDBRANCH  10  14
TORSDOF 1