REMARK  Name = BDB041503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.384  -0.118   2.084  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -1.423  -1.028   2.298  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -1.410  -1.980   1.960  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.450   1.062   2.394  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.237  -0.361   0.961  0.00  0.00    -0.042 A 
ATOM      6  C   LIG    1        3.242  -1.564   0.224  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        2.035  -2.280   0.090  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.849  -1.840   0.682  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.840  -0.662   1.428  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        2.031   0.067   1.556  0.00  0.00    +0.017 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.374   1.779   0.269  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1        4.449   0.529   1.136  0.00  0.00    +0.032 C 
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.465  -2.134  -0.464  0.00  0.00    +0.178 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.559  -1.712  -1.856  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        3.833  -2.342  -2.806  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.198  -1.735  -3.938  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.173  -0.744  -3.725  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.401  -0.764  -2.369  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.947  -0.598   2.828  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.779  -0.022   4.145  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.763  -1.782   2.639  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.494   0.604   1.665  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1       -3.269   0.404   0.309  0.00  0.00    +0.155 A 
ATOM     24  O   LIG    1       -2.637  -0.681  -0.248  0.00  0.00    -0.484 OA
ATOM     25  C   LIG    1       -2.810  -0.542  -1.687  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -3.255   0.902  -1.992  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1       -1.465  -0.859  -2.343  0.00  0.00    +0.056 C 
ATOM     28  C   LIG    1       -3.862  -1.567  -2.129  0.00  0.00    +0.056 C 
ATOM     29  C   LIG    1       -3.673   1.335  -0.638  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.329   2.496  -0.269  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -4.582   2.705   1.088  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -4.152   1.774   2.053  0.00  0.00    +0.150 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -4.489   2.013   3.357  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.604   2.976   3.937  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7