REMARK  Name = BDB034079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.129   0.291  -1.098  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.574   1.559  -2.384  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.699   1.447  -1.879  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -1.411   2.122  -2.142  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.432   0.698  -2.231  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        2.219   2.983  -3.655  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        0.794   2.848  -3.150  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -2.545  -0.079  -1.568  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.922  -1.376  -1.293  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -2.361  -1.932  -0.661  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -3.291   0.736  -2.110  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.271  -1.871  -1.584  0.00  0.00    +0.089 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.279  -3.407  -1.845  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -3.393  -3.734  -3.057  0.00  0.00    +0.009 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -3.905  -4.264  -0.618  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -3.959  -5.766  -0.875  0.00  0.00    +0.004 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  C   LIG    1       -5.284  -1.405  -0.503  0.00  0.00    +0.100 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.796  -1.546   0.876  0.00  0.00    -0.328 NA
ATOM     19  H   LIG    1       -4.049  -0.869   1.019  0.00  0.00    +0.118 HD
ATOM     20  H   LIG    1       -5.542  -1.263   1.514  0.00  0.00    +0.118 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -1.179   0.583   0.406  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1        0.160   0.920   0.985  0.00  0.00    +0.082 A 
ATOM     23  S   LIG    1        1.296  -0.319   1.335  0.00  0.00    -0.072 S 
ATOM     24  C   LIG    1        2.417   0.867   1.887  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        1.828   2.127   1.789  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        2.571   3.252   2.196  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        3.873   3.089   2.684  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        4.459   1.821   2.779  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1        3.724   0.691   2.376  0.00  0.00    +0.021 A 
ATOM     30  N   LIG    1        0.536   2.143   1.290  0.00  0.00    -0.244 NA
BRANCH  28  31
ATOM     31  C   LIG    1        5.874   1.638   3.303  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1        6.002   2.106   4.755  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        6.900   2.341   2.411  0.00  0.00    +0.012 C 
ENDBRANCH  28  31
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 11