REMARK  Name = BDB033728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.025  -3.191  -0.382  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -0.876  -4.517  -0.050  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1        0.274  -4.817   0.640  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        1.204  -3.899   0.977  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.969  -2.633   0.612  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -0.125  -2.244  -0.054  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.826  -5.523  -0.371  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -2.564  -6.388  -0.603  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        1.951  -1.716   0.966  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        2.511  -2.222   1.646  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.473  -0.399   1.413  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        2.560   0.260   2.281  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        3.432   1.211   1.469  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        2.606   2.312   0.929  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        1.228   1.964   0.529  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        1.113   0.485   0.206  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        3.406   3.547   0.084  0.00  0.00    +0.034 S 
ATOM     18  O   LIG    1        4.617   3.846   0.815  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        2.423   4.572  -0.198  0.00  0.00    -0.158 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.818   2.727  -1.456  0.00  0.00    +0.213 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.350   3.720  -2.475  0.00  0.00    +0.180 C 
BRANCH  21  22
ATOM     22  O   LIG    1        5.756   3.888  -2.308  0.00  0.00    -0.393 OA
ATOM     23  H   LIG    1        6.032   4.630  -2.868  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  O   LIG    1       -2.185  -2.818  -1.035  0.00  0.00    -0.475 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.252  -1.464  -1.491  0.00  0.00    +0.237 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.154   0.849  -1.191  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1       -3.216  -0.598  -0.651  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -4.659  -1.143  -0.701  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -5.349  -0.481   0.484  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -4.276  -0.365   1.555  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -2.932  -0.610   0.862  0.00  0.00    +0.010 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10