REMARK  Name = BDB035252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.751  -3.423  -0.892  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.210  -4.155  -2.018  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.102  -4.086   0.345  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -4.299   3.062   0.494  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -3.643   1.932  -0.264  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -2.753   1.166   0.469  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -2.040   0.053  -0.009  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.202  -0.445   0.991  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -0.372  -1.533   0.763  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -0.382  -2.103  -0.514  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -1.249  -1.634  -1.516  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.315   0.353   2.249  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -2.084  -0.541  -1.261  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -2.382   1.390   1.877  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -3.914   1.757  -1.451  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        2.096  -2.585  -1.486  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1        2.061  -2.435  -2.491  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.718  -1.612  -0.659  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        2.491  -0.236  -0.840  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        3.029   0.740   0.020  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        2.558   2.000  -0.466  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1        1.768   1.769  -1.567  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1        2.868   3.545   0.176  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        3.831   0.272   1.087  0.00  0.00    +0.052 A 
ATOM     25 CL   LIG    1        4.502   1.420   2.161  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        4.065  -1.090   1.286  0.00  0.00    +0.022 A 
ATOM     27  N   LIG    1        1.733   0.423  -1.785  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1        1.202  -0.029  -2.517  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1        3.503  -2.022   0.422  0.00  0.00    +0.028 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3