REMARK  Name = BDB033720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.610  -0.534  -1.570  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1        1.276  -1.283  -1.728  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   7
ATOM      3  N   LIG    1        2.318  -1.224   1.660  0.00  0.00    -0.174 NA
ATOM      4  C   LIG    1        1.001  -1.841   1.309  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.000  -0.782   0.854  0.00  0.00    +0.202 C 
ATOM      6  F   LIG    1       -0.308   0.014   1.923  0.00  0.00    -0.242 F 
ATOM      7  C   LIG    1        0.555   0.117  -0.260  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1        1.947   0.646   0.107  0.00  0.00    +0.042 C 
ATOM      9  C   LIG    1        2.901  -0.468   0.522  0.00  0.00    +0.111 C 
BRANCH   3  10
ATOM     10  S   LIG    1        3.389  -2.333   2.397  0.00  0.00    +0.064 S 
ATOM     11  O   LIG    1        2.719  -2.941   3.523  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1        3.986  -3.129   1.345  0.00  0.00    -0.153 OA
BRANCH  10  17
ATOM     13  C   LIG    1        8.038  -0.484   3.921  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.624  -0.691   3.711  0.00  0.00    -0.273 N 
ATOM     15  N   LIG    1        5.739   0.148   4.289  0.00  0.00    -0.178 NA
ATOM     16  C   LIG    1        4.549  -0.347   3.930  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        4.682  -1.463   3.094  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        6.038  -1.669   2.966  0.00  0.00    +0.136 A 
ENDBRANCH  10  17
ENDBRANCH   3  10
ENDBRANCH   1   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.565  -0.848  -2.215  0.00  0.00    +0.219 A 
ATOM     20  N   LIG    1       -1.701  -0.220  -1.893  0.00  0.00    -0.178 NA
ATOM     21  C   LIG    1       -2.817  -0.583  -2.564  0.00  0.00    +0.237 A 
ATOM     22  C   LIG    1       -2.830  -1.531  -3.560  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1       -1.617  -2.123  -3.805  0.00  0.00    +0.138 A 
ATOM     24  N   LIG    1       -0.483  -1.809  -3.139  0.00  0.00    -0.221 NA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.999  -1.904  -4.279  0.00  0.00    +0.106 C 
ATOM     26  N   LIG    1       -4.933  -2.247  -4.878  0.00  0.00    -0.191 NA
ENDBRANCH  22  25
BRANCH  21  27
ATOM     27  O   LIG    1       -4.008   0.044  -2.256  0.00  0.00    -0.469 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.976   0.881  -1.087  0.00  0.00    +0.206 C 
ATOM     29  C   LIG    1       -3.605   2.344  -1.425  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1       -3.244   3.147  -0.173  0.00  0.00    +0.045 C 
ATOM     31  C   LIG    1       -4.878   2.869  -2.089  0.00  0.00    +0.038 C 
ATOM     32  C   LIG    1       -6.030   2.175  -1.366  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -5.423   0.999  -0.596  0.00  0.00    +0.047 C 
BRANCH  29  34
ATOM     34  O   LIG    1       -2.515   2.461  -2.333  0.00  0.00    -0.385 OA
ATOM     35  H   LIG    1       -1.851   1.791  -2.075  0.00  0.00    +0.210 HD
ENDBRANCH  29  34
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH   1  19
TORSDOF 8