REMARK  Name = BDB029515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.359  -1.599  -1.695  0.00  0.00    +0.168 A 
ATOM      2  S   LIG    1       -2.488  -0.911  -0.408  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1       -1.009  -1.437  -1.111  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -1.296  -2.117  -2.295  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -0.232  -2.658  -3.046  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.084  -2.496  -2.599  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        1.345  -1.790  -1.424  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        0.305  -1.265  -0.646  0.00  0.00    +0.030 A 
ATOM      9  N   LIG    1       -2.640  -2.196  -2.616  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.750  -1.659  -0.980  0.00  0.00    +0.247 C 
ATOM     11  N   LIG    1        3.252  -0.393  -0.738  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        4.639  -0.223  -0.338  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1        4.791   1.277  -0.062  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        6.227   1.699  -0.322  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        6.594   2.283  -1.337  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        7.127   1.393   0.667  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        8.069   1.705   0.464  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        6.832   1.442   2.004  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        7.696   1.714   2.833  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        5.409   1.127   2.393  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1        4.417   1.676   1.375  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        3.801   1.873  -1.083  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        2.646   0.879  -1.103  0.00  0.00    +0.109 C 
ATOM     24  O   LIG    1        3.420  -2.680  -0.855  0.00  0.00    -0.270 OA
ENDBRANCH   7  10
BRANCH   1  26
ATOM     25  C   LIG    1       -5.684  -1.013  -1.006  0.00  0.00    +0.407 C 
ATOM     26  N   LIG    1       -4.721  -1.557  -1.804  0.00  0.00    -0.230 N 
ATOM     27  H   LIG    1       -5.081  -2.017  -2.628  0.00  0.00    +0.160 HD
ATOM     28  O   LIG    1       -6.864  -1.111  -1.326  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1       -5.244  -0.387   0.110  0.00  0.00    -0.444 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -5.269   0.812   2.148  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -6.166   0.230   1.045  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -6.940   1.378   0.388  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -7.101  -0.809   1.673  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH   1  26
TORSDOF 4