REMARK  Name = BDB058143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.707  -0.313   0.643  0.00  0.00    +0.235 C 
ATOM      2  N   LIG    1        0.400   0.006   0.995  0.00  0.00    -0.284 N 
ATOM      3  H   LIG    1        0.239   0.939   1.355  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        2.084  -1.379   0.166  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.738  -0.824   0.904  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.964  -0.267   1.281  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -3.151  -1.022   1.222  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -3.116  -2.350   0.796  0.00  0.00    +0.044 A 
ATOM      9 BR   LIG    1       -4.627  -3.489   0.668  0.00  0.00    -0.048 Br
ATOM     10  C   LIG    1       -1.888  -2.904   0.421  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -0.711  -2.148   0.472  0.00  0.00    +0.024 A 
BRANCH   7  12
ATOM     12  S   LIG    1       -4.657  -0.222   1.714  0.00  0.00    +0.062 S 
ATOM     13  O   LIG    1       -4.362   1.180   1.942  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -5.253  -1.021   2.760  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  N   LIG    1       -5.634  -0.286   0.319  0.00  0.00    -0.177 NA
ATOM     16  C   LIG    1       -7.090  -0.073   0.569  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1       -7.611   1.171  -0.138  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -7.397   1.098  -1.647  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1       -6.121   0.343  -2.016  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -5.098   0.395  -0.889  0.00  0.00    +0.109 C 
ENDBRANCH  12  15
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   1  21
ATOM     21  C   LIG    1        2.667   0.855   0.903  0.00  0.00    +0.214 C 
BRANCH  21  26
ATOM     22  C   LIG    1        5.947  -1.399  -1.466  0.00  0.00    +0.042 C 
ATOM     23  C   LIG    1        5.962  -0.130  -0.618  0.00  0.00    +0.113 C 
ATOM     24  C   LIG    1        4.569   0.532  -0.664  0.00  0.00    +0.247 C 
ATOM     25  O   LIG    1        4.047   1.034  -1.652  0.00  0.00    -0.273 OA
ATOM     26  N   LIG    1        4.015   0.460   0.582  0.00  0.00    -0.215 N 
ATOM     27  C   LIG    1        4.864  -0.148   1.451  0.00  0.00    +0.310 C 
ATOM     28  O   LIG    1        4.663  -0.384   2.631  0.00  0.00    -0.252 OA
ATOM     29  N   LIG    1        6.027  -0.453   0.788  0.00  0.00    -0.285 N 
ATOM     30  H   LIG    1        6.780  -0.945   1.248  0.00  0.00    +0.151 HD
BRANCH  23  31
ATOM     31  C   LIG    1        7.057   0.815  -1.048  0.00  0.00    +0.021 C 
ATOM     32  C   LIG    1        8.500   0.601  -0.652  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1        7.740   1.776  -0.100  0.00  0.00    +0.006 C 
ENDBRANCH  23  31
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 6