REMARK  Name = BDB028801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.452  -0.660  -1.765  0.00  0.00    -0.073 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.630  -0.700  -0.372  0.00  0.00    +0.141 C 
ATOM      3  C   LIG    1       -1.978   0.707   0.115  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -1.238   1.686   0.053  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -3.212   0.842   0.715  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -3.432   1.768   1.056  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -4.212  -0.091   0.823  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.279   0.181   1.365  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.902  -1.470   0.296  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.901  -1.406  -0.848  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1        4.045   1.710  -1.788  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        3.038   0.931  -0.997  0.00  0.00    +0.043 A 
ATOM     13  N   LIG    1        1.918   0.543  -1.634  0.00  0.00    -0.227 NA
ATOM     14  C   LIG    1        1.013  -0.135  -0.910  0.00  0.00    +0.189 A 
ATOM     15  N   LIG    1        1.164  -0.491   0.378  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        2.296  -0.087   0.988  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        2.469  -0.454   2.430  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1        3.272   0.637   0.332  0.00  0.00    +0.046 A 
ENDBRANCH   1  14
TORSDOF 2