REMARK  Name = BDB032616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.249   1.977   0.703  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1       -0.455   2.826   1.233  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.095   1.626   0.828  0.00  0.00    +0.200 A 
ATOM      4  C   LIG    1        1.771   0.455   0.399  0.00  0.00    +0.131 A 
ATOM      5 CL   LIG    1        1.088  -0.901  -0.360  0.00  0.00    -0.076 Cl
ATOM      6  C   LIG    1        3.073   0.640   0.809  0.00  0.00    +0.187 A 
ATOM      7  O   LIG    1        3.149   1.826   1.484  0.00  0.00    -0.351 OA
ATOM      8  N   LIG    1        1.906   2.428   1.523  0.00  0.00    -0.060 NA
BRANCH   6   9
ATOM      9  C   LIG    1        4.323  -0.105   0.711  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        5.287  -0.022   1.728  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        6.486  -0.736   1.640  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.738  -1.540   0.533  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.795  -1.629  -0.488  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.596  -0.915  -0.400  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -0.928   2.157  -0.832  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -1.580   3.449  -0.830  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        0.040   1.806  -1.848  0.00  0.00    -0.150 OA
BRANCH  15  23
ATOM     18  C   LIG    1       -5.338  -2.025  -0.782  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.257  -0.978  -0.774  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1       -4.306   0.120   0.111  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1       -5.443   0.294   1.082  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -3.276   1.073   0.082  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -2.209   0.929  -0.812  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1       -2.165  -0.144  -1.700  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -3.185  -1.095  -1.674  0.00  0.00    +0.005 A 
ENDBRANCH  15  23
ENDBRANCH   1  15
TORSDOF 4