REMARK  Name = BDB023358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.203  -0.202   1.526  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.781  -0.646   0.710  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.586   0.965   1.994  0.00  0.00    +0.299 C 
ATOM      4  O   LIG    1       -1.068   1.689   2.852  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.678   1.210   1.329  0.00  0.00    +0.195 A 
ATOM      6  C   LIG    1        1.621   2.220   1.483  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        1.551   3.352   2.443  0.00  0.00    +0.048 C 
ATOM      8  C   LIG    1        2.654   1.947   0.535  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        2.271   0.792  -0.132  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.009   0.186  -1.147  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        4.214   0.804  -1.514  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1        4.640   1.964  -0.850  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.078   0.187  -2.576  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        3.871   2.550   0.169  0.00  0.00    +0.012 A 
ATOM     15  O   LIG    1        1.081   0.343   0.344  0.00  0.00    -0.450 OA
ENDBRANCH   3   5
BRANCH   1  16
ATOM     16  S   LIG    1       -2.828  -0.470   1.716  0.00  0.00    +0.078 S 
ATOM     17  O   LIG    1       -3.558   0.595   1.063  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -3.064  -0.832   3.098  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -2.564  -2.061  -0.533  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1       -3.116  -1.929   0.743  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -3.918  -2.947   1.272  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -4.161  -4.098   0.522  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.598  -4.237  -0.747  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.793  -3.224  -1.272  0.00  0.00    +0.047 A 
BRANCH  19  25
ATOM     25  O   LIG    1       -1.719  -1.105  -1.029  0.00  0.00    -0.490 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -1.505   0.874  -2.341  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1       -2.332  -0.376  -2.103  0.00  0.00    +0.226 C 
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5