REMARK  Name = BDB033711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.033   1.719  -0.460  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -4.096   2.374  -1.669  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -2.934   2.336  -2.398  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1       -1.799   1.735  -1.971  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -1.829   1.151  -0.765  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -2.915   1.121   0.015  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -5.237   3.078  -2.143  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -6.177   3.632  -2.539  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1       -0.699   0.549  -0.226  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.882   0.517   0.774  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        0.589   1.119  -0.627  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        1.085   0.427  -1.905  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        2.599   0.515  -2.016  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        3.257  -0.217  -0.896  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        2.467  -0.269   0.362  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        1.603   0.973   0.521  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        4.922   0.116  -0.741  0.00  0.00    +0.032 S 
ATOM     18  O   LIG    1        5.062   1.171   0.239  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        5.472   0.249  -2.073  0.00  0.00    -0.158 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.535  -1.421  -0.048  0.00  0.00    +0.191 C 
BRANCH  20  21
ATOM     21  C   LIG    1        7.054  -1.414   0.064  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1        7.608  -0.422   1.081  0.00  0.00    +0.165 C 
ATOM     23  O   LIG    1        8.854  -0.961   1.554  0.00  0.00    -0.379 OA
ATOM     24  C   LIG    1        8.998  -2.297   1.056  0.00  0.00    +0.160 C 
ATOM     25  C   LIG    1        7.629  -2.724   0.572  0.00  0.00    +0.035 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  26
ATOM     26  O   LIG    1       -5.062   1.701   0.441  0.00  0.00    -0.469 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -7.041  -1.480  -0.443  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1       -5.901  -0.654   0.162  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1       -6.179   0.865   0.074  0.00  0.00    +0.206 C 
ATOM     30  C   LIG    1       -7.210   1.072   1.195  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -6.854   0.042   2.278  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -5.792  -0.879   1.673  0.00  0.00    +0.038 C 
BRANCH  28  33
ATOM     33  O   LIG    1       -4.723  -1.048  -0.530  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -3.938  -0.786   0.017  0.00  0.00    +0.210 HD
ENDBRANCH  28  33
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 9