REMARK  Name = BDB034084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.539   2.353  -0.016  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -1.140   0.021  -0.503  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.152  -0.126  -0.689  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -1.586   1.225  -0.019  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1       -2.737   1.416   0.374  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -1.942  -1.206  -0.520  0.00  0.00    +0.089 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -2.389  -1.533  -1.976  0.00  0.00    +0.007 C 
ATOM      8  C   LIG    1       -3.063  -2.906  -2.085  0.00  0.00    +0.009 C 
BRANCH   7  10
ATOM      9  C   LIG    1       -4.669  -0.292  -1.966  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1       -3.292  -0.440  -2.597  0.00  0.00    +0.002 C 
ENDBRANCH   7  10
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1       -1.082  -2.317   0.140  0.00  0.00    +0.100 C 
BRANCH  11  12
ATOM     12  N   LIG    1        0.211  -2.495  -0.541  0.00  0.00    -0.328 NA
ATOM     13  H   LIG    1        0.807  -3.089   0.037  0.00  0.00    +0.118 HD
ATOM     14  H   LIG    1        0.067  -3.003  -1.413  0.00  0.00    +0.118 HD
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   2   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  N   LIG    1       -1.287   3.602  -0.185  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1       -2.280   3.567   0.032  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -0.696   4.758  -0.620  0.00  0.00    +0.216 C 
ATOM     18  O   LIG    1        0.503   4.826  -0.878  0.00  0.00    -0.276 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -1.621   5.961  -0.755  0.00  0.00    +0.069 C 
ATOM     20  C   LIG    1       -2.714   5.702  -1.788  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -2.211   6.356   0.595  0.00  0.00    +0.017 C 
ENDBRANCH  17  19
ENDBRANCH   1  15
BRANCH   1  22
ATOM     22  C   LIG    1        0.266   2.364   1.287  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.155   1.169   1.442  0.00  0.00    +0.082 A 
ATOM     24  S   LIG    1        2.607   1.033   0.537  0.00  0.00    -0.072 S 
ATOM     25  C   LIG    1        2.921  -0.494   1.267  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        1.899  -0.782   2.171  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        1.957  -1.988   2.894  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        3.022  -2.873   2.692  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        4.043  -2.581   1.779  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        3.997  -1.375   1.056  0.00  0.00    +0.021 A 
ATOM     31  N   LIG    1        0.899   0.172   2.260  0.00  0.00    -0.244 NA
BRANCH  29  32
ATOM     32  C   LIG    1        5.203  -3.538   1.553  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1        4.722  -4.881   0.996  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        6.026  -3.738   2.828  0.00  0.00    +0.012 C 
ENDBRANCH  29  32
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 11