REMARK  Name = BDB016535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.732  -0.947  -1.032  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.557  -0.498  -0.361  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        0.154  -1.389   0.447  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        1.316  -0.997   1.133  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.789   0.304   0.991  0.00  0.00    +0.106 A 
ATOM      6  C   LIG    1        1.106   1.213   0.188  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -0.312  -2.776   0.581  0.00  0.00    +0.264 A 
ATOM      8  O   LIG    1        0.358  -3.571   1.236  0.00  0.00    -0.267 OA
ATOM      9  N   LIG    1       -1.483  -3.106  -0.078  0.00  0.00    -0.263 N 
ATOM     10  C   LIG    1       -1.956  -4.474   0.035  0.00  0.00    +0.157 C 
ATOM     11  C   LIG    1       -0.054   0.809  -0.485  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.169  -2.268  -0.945  0.00  0.00    +0.332 A 
ATOM     13  O   LIG    1       -3.115  -2.685  -1.618  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   5  14
ATOM     14  S   LIG    1        3.246   0.809   1.871  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        3.320   2.252   1.820  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        3.274   0.090   3.125  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        4.455   0.120   0.897  0.00  0.00    -0.184 NA
ATOM     18  H   LIG    1        4.859  -0.668   1.409  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        5.476   1.040   0.346  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1        6.921   0.587   0.363  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        6.478   1.703   1.260  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        5.017   1.782  -0.884  0.00  0.00    +0.029 C 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   5  14
BRANCH   1  23
ATOM     23  C   LIG    1       -2.549  -0.040  -1.848  0.00  0.00    +0.171 C 
BRANCH  23  27
ATOM     24  C   LIG    1       -5.460   3.107   1.316  0.00  0.00    +0.073 C 
ATOM     25  C   LIG    1       -4.973   2.036   0.407  0.00  0.00    +0.076 A 
ATOM     26  S   LIG    1       -3.359   2.055  -0.161  0.00  0.00    -0.075 S 
ATOM     27  C   LIG    1       -3.638   0.593  -1.026  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1       -4.962   0.208  -0.851  0.00  0.00    +0.051 A 
ATOM     29  C   LIG    1       -5.657  -0.970  -1.435  0.00  0.00    +0.066 C 
ATOM     30  N   LIG    1       -5.707   1.037  -0.024  0.00  0.00    -0.249 NA
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 5