REMARK  Name = BDB053927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.657   0.196   2.445  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1       -1.008   0.784   1.250  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -0.499   0.580   0.399  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.336   0.374   3.454  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.048   0.401   0.589  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        1.669  -0.605   1.617  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        0.522  -0.648   2.400  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        0.632  -1.969   3.497  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        2.164  -2.387   2.848  0.00  0.00    +0.111 A 
ATOM     10  N   LIG    1        2.575  -1.631   1.854  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        2.873  -3.572   3.333  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.435  -3.666   4.616  0.00  0.00    +0.051 A 
ATOM     13 CL   LIG    1        3.383  -2.363   5.754  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        4.099  -4.833   5.013  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.218  -5.911   4.135  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.682  -5.822   2.853  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.019  -4.660   2.454  0.00  0.00    +0.012 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -2.164   1.673   1.104  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -2.609   1.685  -0.374  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1       -1.494   2.168  -1.212  0.00  0.00    -0.328 N 
ATOM     21  C   LIG    1       -0.732   3.329  -0.720  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -1.458   4.034   0.423  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -1.812   3.092   1.577  0.00  0.00    +0.025 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -1.363   1.781  -2.541  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1       -2.409   1.172  -3.253  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -2.260   0.772  -4.593  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1       -1.044   0.975  -5.248  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        0.010   1.571  -4.567  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -0.153   1.966  -3.235  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -3.364   0.136  -5.350  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -3.316  -0.225  -6.511  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.481  -0.025  -4.618  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -5.108  -0.450  -5.241  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 6