REMARK  Name = BDB043473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.290  -0.062  -0.725  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -1.476  -0.953  -0.750  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -2.563  -0.644   0.332  0.00  0.00    +0.174 C 
ATOM      4  O   LIG    1       -2.772   0.774   0.444  0.00  0.00    -0.357 OA
ATOM      5  C   LIG    1       -1.573   1.464   0.790  0.00  0.00    +0.215 C 
ATOM      6  C   LIG    1       -0.392   1.211  -0.173  0.00  0.00    +0.246 C 
ATOM      7  O   LIG    1        0.445   2.098  -0.369  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.112  -0.953  -2.147  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -2.280  -2.168  -2.835  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.855  -2.191  -4.108  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.271  -1.003  -4.704  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -3.976  -1.034  -6.272  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.119   0.208  -4.035  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.544   0.234  -2.762  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.410  -1.260   1.716  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -3.527  -1.251   2.575  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -3.447  -1.790   3.859  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.831  -1.773   4.881  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.255  -2.341   4.318  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.137  -2.348   3.486  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.215  -1.813   2.196  0.00  0.00    +0.006 A 
ENDBRANCH   3  15
BRANCH   1  23
ATOM     22  C   LIG    1        1.492   0.521  -2.449  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        0.916  -0.496  -1.462  0.00  0.00    +0.095 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.969  -1.245  -0.640  0.00  0.00    +0.188 C 
BRANCH  24  25
ATOM     25  S   LIG    1        2.593  -0.615   0.905  0.00  0.00    -0.024 S 
ATOM     26  O   LIG    1        1.535   0.113   1.579  0.00  0.00    -0.174 OA
ATOM     27  O   LIG    1        3.121  -1.802   1.566  0.00  0.00    -0.174 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.029   0.511   0.631  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        3.578   1.973   0.541  0.00  0.00    +0.035 C 
ATOM     30  C   LIG    1        4.961   0.392   1.856  0.00  0.00    +0.035 C 
ATOM     31  C   LIG    1        4.816   0.112  -0.620  0.00  0.00    +0.035 C 
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
BRANCH   5  32
ATOM     32  C   LIG    1       -1.889   2.958   0.812  0.00  0.00    +0.161 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -1.063   3.683   1.841  0.00  0.00    +0.308 C 
ATOM     34  O   LIG    1       -1.524   4.121   2.885  0.00  0.00    -0.251 OA
BRANCH  33  35
ATOM     35  O   LIG    1        0.235   3.841   1.509  0.00  0.00    -0.481 OA
ATOM     36  H   LIG    1        0.500   3.386   0.673  0.00  0.00    +0.295 HD
ENDBRANCH  33  35
ENDBRANCH  32  33
ENDBRANCH   5  32
TORSDOF 9