REMARK  Name = BDB015428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.439  -1.938   0.336  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        1.250  -2.711  -0.516  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        2.076  -3.595   0.323  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        1.877  -2.963   1.697  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1        0.714  -2.049   1.596  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.523  -0.646  -0.125  0.00  0.00    -0.299 NA
ATOM      7  C   LIG    1       -2.594  -0.395   1.001  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.141  -0.093   0.581  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.559  -1.189  -0.218  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.553  -1.901  -1.058  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.784  -1.023  -1.351  0.00  0.00    +0.103 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.433   0.478  -0.394  0.00  0.00    +0.087 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.546   0.645   0.669  0.00  0.00    -0.000 C 
ATOM     14  C   LIG    1       -6.373  -0.641   0.812  0.00  0.00    +0.009 C 
BRANCH  13  16
ATOM     15  C   LIG    1       -5.811   3.176   0.334  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.492   1.815   0.324  0.00  0.00    +0.001 C 
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  S   LIG    1        1.992  -2.120  -1.917  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1        1.056  -1.383  -2.739  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        2.761  -3.207  -2.495  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.156  -0.935  -1.269  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1        2.707   0.339  -0.914  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        3.613   1.275  -0.413  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.973   0.954  -0.276  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1        5.409  -0.325  -0.660  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.508  -1.266  -1.161  0.00  0.00    +0.029 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.976   1.959   0.266  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        6.087   3.187  -0.641  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1        5.642   2.369   1.702  0.00  0.00    +0.012 C 
ENDBRANCH  23  26
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 7