REMARK  Name = BDB015383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.098  -1.347   1.800  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.628  -0.696   2.816  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -1.582  -1.662   3.386  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -1.050  -2.970   2.813  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.132  -2.620   1.706  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.641  -0.309  -0.312  0.00  0.00    -0.297 NA
ATOM      7  C   LIG    1        3.427  -0.445   1.146  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        2.064   0.110   1.611  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.941  -0.634   0.995  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        1.278  -1.234  -0.316  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.369  -0.433  -1.053  0.00  0.00    +0.103 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.699  -1.224  -0.771  0.00  0.00    +0.112 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.196  -1.004  -2.218  0.00  0.00    +0.174 C 
BRANCH  13  15
ATOM     14  C   LIG    1        6.554   0.913  -1.815  0.00  0.00    +0.194 C 
ATOM     15  O   LIG    1        5.480   0.355  -2.557  0.00  0.00    -0.382 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  S   LIG    1       -1.133   0.912   2.848  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -2.027   1.071   3.980  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.002   1.804   2.704  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.129   1.057   1.377  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -3.506   0.834   1.443  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -4.284   0.977   0.292  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.701   1.358  -0.928  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1       -2.319   1.605  -0.967  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -1.536   1.464   0.180  0.00  0.00    +0.029 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.530   1.521  -2.190  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -5.567   2.636  -2.041  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -5.198   0.205  -2.599  0.00  0.00    +0.012 C 
ENDBRANCH  22  25
ENDBRANCH  16  19
ENDBRANCH   2  16
TORSDOF 7