REMARK  Name = BDB030292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.096   0.872   0.348  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.525  -0.461   0.348  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.889  -0.742   0.243  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        2.312  -2.088   0.244  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.640  -2.838   0.330  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.629  -2.500   0.146  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        4.623  -1.441   0.034  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.237  -0.113   0.032  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        5.565   0.943  -0.111  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.674  -0.360  -0.171  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.040  -1.581  -0.084  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        3.917  -3.693   0.154  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.837   0.300   0.142  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.398   1.627   0.162  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        1.033   1.911   0.272  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -1.646   2.202   1.137  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -1.345   1.224   0.466  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1       -2.202   0.404  -0.246  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1       -1.780  -0.274  -0.867  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.610   0.472  -0.286  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.269  -0.408  -1.156  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -5.665  -0.408  -1.249  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -6.409   0.471  -0.469  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -8.125   0.473  -0.582  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -5.769   1.348   0.401  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -4.372   1.346   0.493  0.00  0.00    +0.025 A 
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 2