REMARK  Name = BDB033725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.535  -2.249   0.025  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -1.661  -3.614   0.130  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -0.531  -4.323  -0.190  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        0.627  -3.747  -0.579  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.649  -2.411  -0.657  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -0.397  -1.632  -0.358  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.858  -4.265   0.536  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -3.816  -4.834   0.865  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        1.847  -1.858  -1.070  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        2.553  -2.581  -0.970  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.190  -0.533  -0.562  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        3.332   0.047  -1.412  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        4.697  -0.217  -0.794  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.781   0.358   0.567  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        3.512   0.523   1.304  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        2.551  -0.596   0.929  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        6.056   1.404   0.930  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1        7.252   0.885   0.301  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        6.013   1.690   2.347  0.00  0.00    -0.158 OA
ATOM     20  C   LIG    1        5.583   2.886   0.061  0.00  0.00    +0.215 C 
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  O   LIG    1       -2.636  -1.478   0.342  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.441  -0.073   0.159  0.00  0.00    +0.237 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.077   0.443   2.007  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1       -3.738   0.678   0.523  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.917   0.219  -0.365  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -5.717   1.485  -0.629  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -4.634   2.531  -0.821  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -3.596   2.196   0.247  0.00  0.00    +0.010 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7