REMARK  Name = BDB033985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.285  -0.651   1.237  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.299  -2.831   2.318  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.295  -1.450   2.328  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        0.238  -1.025   3.245  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        0.001  -3.509   1.343  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        0.780  -4.936   3.621  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        0.735  -3.419   3.647  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -1.828  -0.668   1.351  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.494   0.162   0.469  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -1.977   0.674  -0.233  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -2.426  -1.312   2.213  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.963   0.223   0.415  0.00  0.00    +0.090 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.389   1.606  -0.159  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -5.811   2.021   0.267  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -6.293   3.225  -0.533  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -6.385   2.917  -2.028  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -5.448   1.796  -2.481  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -4.153   1.769  -1.677  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
BRANCH  12  19
ATOM     19  C   LIG    1       -4.510  -1.035  -0.319  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.959  -1.210  -0.250  0.00  0.00    -0.328 NA
ATOM     21  H   LIG    1       -6.207  -2.090  -0.705  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1       -6.230  -1.325   0.728  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  C   LIG    1        0.214  -0.997  -0.175  0.00  0.00    +0.094 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.655  -0.622  -0.341  0.00  0.00    +0.082 A 
ATOM     25  S   LIG    1        2.876  -1.823  -0.412  0.00  0.00    -0.072 S 
ATOM     26  C   LIG    1        4.072  -0.597  -0.593  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        3.446   0.649  -0.591  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1        4.241   1.803  -0.729  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        5.629   1.682  -0.863  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        6.251   0.428  -0.864  0.00  0.00    -0.044 A 
ATOM     31  C   LIG    1        5.465  -0.731  -0.727  0.00  0.00    +0.021 A 
ATOM     32  N   LIG    1        2.067   0.623  -0.450  0.00  0.00    -0.244 NA
BRANCH  30  33
ATOM     33  C   LIG    1        7.759   0.289  -1.010  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        8.246   0.832  -2.356  0.00  0.00    +0.012 C 
ATOM     35  C   LIG    1        8.501   0.959   0.150  0.00  0.00    +0.012 C 
ENDBRANCH  30  33
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 10