REMARK  Name = BDB033688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.832  -0.158   0.013  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        0.340   0.183   0.834  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -2.365  -0.982  -1.259  0.00  0.00    +0.237 A 
ATOM      4  C   LIG    1       -2.115  -1.867  -2.281  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -0.788  -2.154  -2.482  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1        0.210  -1.621  -1.746  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1       -0.134  -0.762  -0.777  0.00  0.00    +0.219 A 
ATOM      8  N   LIG    1       -1.398  -0.428  -0.497  0.00  0.00    -0.178 NA
BRANCH   4   9
ATOM      9  C   LIG    1       -3.132  -2.455  -3.082  0.00  0.00    +0.106 C 
ATOM     10  N   LIG    1       -3.930  -2.960  -3.757  0.00  0.00    -0.191 NA
ENDBRANCH   4   9
BRANCH   3  11
ATOM     11  O   LIG    1       -3.684  -0.659  -1.003  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.861   0.313   0.032  0.00  0.00    +0.237 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -5.939   1.161  -1.119  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -5.364   0.616   0.203  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -5.585   1.635   1.340  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -6.916   1.235   1.956  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -6.843  -0.281   1.958  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -6.160  -0.641   0.639  0.00  0.00    +0.010 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   3  11
ENDBRANCH   1   7
BRANCH   1  19
ATOM     19  C   LIG    1        2.049  -0.929   0.262  0.00  0.00    +0.076 C 
ATOM     20  C   LIG    1        2.606  -0.535   1.638  0.00  0.00    +0.039 C 
ATOM     21  C   LIG    1        4.069  -0.926   1.769  0.00  0.00    +0.111 C 
ATOM     22  N   LIG    1        4.914  -0.271   0.733  0.00  0.00    -0.176 NA
ATOM     23  C   LIG    1        4.159   0.290  -0.420  0.00  0.00    +0.111 C 
ATOM     24  C   LIG    1        3.079  -0.691  -0.854  0.00  0.00    +0.039 C 
BRANCH  22  25
ATOM     25  S   LIG    1        6.136   0.742   1.359  0.00  0.00    +0.064 S 
ATOM     26  O   LIG    1        6.893  -0.012   2.334  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        5.540   2.021   1.675  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  C   LIG    1        7.266   1.063   0.118  0.00  0.00    +0.142 A 
ATOM     29  C   LIG    1        7.952   0.162  -0.665  0.00  0.00    +0.133 A 
ATOM     30  N   LIG    1        8.728   0.919  -1.493  0.00  0.00    -0.283 N 
ATOM     31  H   LIG    1        9.383   0.605  -2.203  0.00  0.00    +0.188 HD
ATOM     32  N   LIG    1        8.569   2.244  -1.315  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1        7.685   2.328  -0.315  0.00  0.00    +0.162 A 
ENDBRANCH  25  28
ENDBRANCH  22  25
ENDBRANCH   1  19
TORSDOF 8