REMARK  Name = BDB025504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.062  -0.392  -0.053  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1       -0.170  -1.313  -0.639  0.00  0.00    -0.201 N 
ATOM      3  C   LIG    1        1.101  -1.078  -1.121  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        1.782   0.243  -1.182  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1        3.053   0.075  -1.949  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1        3.810  -1.185  -1.667  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        2.977  -2.416  -2.082  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        1.610  -2.295  -1.519  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        0.579  -3.210  -1.287  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -0.492  -2.634  -0.753  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -0.681   0.763   0.113  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -6.483   1.336   2.395  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -5.058   0.855   2.450  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -4.479   0.125   1.387  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -5.234  -0.138   0.227  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.224  -0.233   0.432  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -4.733  -1.196  -0.633  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -3.284  -0.922  -0.976  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -2.432  -0.957   0.300  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.110  -0.218   1.453  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1       -2.385   0.048   2.629  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.978   0.716   3.695  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.303   1.128   3.602  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   5  24
ATOM     24  S   LIG    1        3.978   1.492  -2.153  0.00  0.00    +0.035 S 
ATOM     25  O   LIG    1        5.056   1.141  -3.058  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        3.052   2.544  -2.521  0.00  0.00    -0.158 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.709   1.871  -0.557  0.00  0.00    +0.148 C 
ATOM     28  C   LIG    1        3.814   2.602   0.471  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1        5.063   3.416   0.868  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        5.607   3.133  -0.546  0.00  0.00    +0.028 C 
ENDBRANCH  24  27
ENDBRANCH   5  24
BRANCH   9  31
ATOM     31  N   LIG    1        0.649  -4.515  -1.558  0.00  0.00    -0.341 N 
ATOM     32  H   LIG    1       -0.078  -5.116  -1.188  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1        1.529  -4.983  -1.733  0.00  0.00    +0.144 HD
ENDBRANCH   9  31
TORSDOF 4