REMARK  Name = BDB032633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.516  -1.917   0.570  0.00  0.00    +0.237 A 
ATOM      2  O   LIG    1       -0.884  -1.377   1.759  0.00  0.00    -0.338 OA
ATOM      3  N   LIG    1        0.095  -0.502   2.192  0.00  0.00    -0.076 NA
ATOM      4  C   LIG    1        1.076  -0.559   1.276  0.00  0.00    +0.116 A 
ATOM      5  C   LIG    1        0.724  -1.446   0.226  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.277   0.259   1.402  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        3.578  -0.268   1.370  0.00  0.00    +0.027 A 
ATOM      8 BR   LIG    1        3.943  -2.131   1.245  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        4.686   0.584   1.472  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        4.507   1.960   1.612  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.222   2.492   1.657  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.115   1.648   1.555  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
BRANCH   1  13
ATOM     13  N   LIG    1       -1.327  -2.866  -0.167  0.00  0.00    -0.183 N 
ATOM     14  H   LIG    1       -2.103  -3.271   0.354  0.00  0.00    +0.177 HD
BRANCH  13  16
ATOM     15  O   LIG    1       -2.949  -3.202  -2.057  0.00  0.00    -0.150 OA
ATOM     16  S   LIG    1       -1.805  -2.385  -1.711  0.00  0.00    +0.075 S 
ATOM     17  O   LIG    1       -0.632  -2.332  -2.559  0.00  0.00    -0.150 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.401  -0.725  -1.479  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1       -1.635   0.360  -1.917  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -2.115   1.656  -1.730  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.355   1.862  -1.122  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.124   0.774  -0.705  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.652  -0.526  -0.886  0.00  0.00    +0.029 A 
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4