REMARK  Name = BDB017730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.264  -0.513  -1.633  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.926  -1.474  -0.869  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.224  -1.214  -0.427  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.877  -0.006  -0.733  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.248   0.212  -0.211  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.876   1.437  -0.424  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.230   2.217  -0.498  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.104   1.781   0.285  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.008   0.556   0.356  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.270  -0.628   0.988  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.863  -0.776   0.469  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.174  -2.061   0.765  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.719  -2.961   1.397  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.205   0.923  -1.545  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -2.890  -2.191   0.318  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.448  -3.076   0.525  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.905   0.671  -1.996  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  22
ATOM     18  N   LIG    1        4.412   0.179   0.240  0.00  0.00    -0.307 N 
ATOM     19  C   LIG    1        3.354  -0.528   0.972  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1        2.021  -0.473   0.199  0.00  0.00    +0.127 C 
ATOM     21  N   LIG    1        2.136  -0.881  -1.210  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1        1.102  -0.769  -2.134  0.00  0.00    +0.247 C 
ATOM     23  O   LIG    1        1.254  -0.858  -3.349  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1        3.499  -1.097  -1.701  0.00  0.00    +0.127 C 
ATOM     25  C   LIG    1        4.466   0.001  -1.219  0.00  0.00    +0.126 C 
BRANCH  18  28
ATOM     26  C   LIG    1        7.381   1.989   1.737  0.00  0.00    +0.110 A 
ATOM     27  S   LIG    1        6.699   1.679   0.206  0.00  0.00    -0.042 S 
ATOM     28  C   LIG    1        5.420   0.765   0.944  0.00  0.00    +0.162 A 
ATOM     29  N   LIG    1        5.506   0.712   2.258  0.00  0.00    -0.232 NA
ATOM     30  C   LIG    1        6.614   1.398   2.712  0.00  0.00    +0.139 A 
BRANCH  26  32
ATOM     31  N   LIG    1        9.528   3.362   2.152  0.00  0.00    -0.190 NA
ATOM     32  C   LIG    1        8.564   2.747   1.958  0.00  0.00    +0.108 C 
ENDBRANCH  26  32
ENDBRANCH  18  28
ENDBRANCH   1  22
TORSDOF 3