REMARK  Name = BDB050283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.228  -1.891  -1.930  0.00  0.00    +0.133 A 
ATOM      2  N   LIG    1        1.486  -1.156  -0.997  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        0.555  -0.452  -1.607  0.00  0.00    +0.082 A 
ATOM      4  S   LIG    1        0.513  -0.628  -3.321  0.00  0.00    -0.079 S 
ATOM      5  C   LIG    1        1.830  -1.717  -3.241  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -0.413   0.444  -0.869  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -0.337   1.914  -1.317  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -1.563   2.341  -2.114  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -2.798   2.111  -1.366  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -3.852   3.006  -1.547  0.00  0.00    +0.251 C 
ATOM     11  O   LIG    1       -3.825   3.953  -2.329  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -2.857   0.938  -0.493  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.841  -0.123  -0.894  0.00  0.00    +0.029 C 
BRANCH  10  14
ATOM     14  C   LIG    1       -5.072   2.823  -0.754  0.00  0.00    +0.090 A 
ATOM     15  C   LIG    1       -6.228   2.272  -1.308  0.00  0.00    +0.056 A 
ATOM     16 CL   LIG    1       -6.284   1.677  -2.927  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -7.382   2.155  -0.525  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -7.382   2.595   0.802  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -6.225   3.149   1.350  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -5.078   3.263   0.568  0.00  0.00    +0.137 A 
ATOM     21  F   LIG    1       -3.976   3.791   1.121  0.00  0.00    -0.205 F 
ENDBRANCH  10  14
ENDBRANCH   3   6
BRANCH   1  24
ATOM     22  N   LIG    1        3.502  -2.763  -0.143  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        2.906  -2.109   0.364  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.336  -2.752  -1.510  0.00  0.00    +0.263 C 
ATOM     25  O   LIG    1        4.039  -3.380  -2.294  0.00  0.00    -0.269 OA
BRANCH  22  26
ATOM     26  C   LIG    1        4.644  -3.370   0.520  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1        5.878  -2.474   0.405  0.00  0.00    +0.028 C 
BRANCH  26  28
ATOM     28  C   LIG    1        4.322  -3.741   1.969  0.00  0.00    +0.142 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.112  -2.535   2.847  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1        4.936  -2.119   3.649  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        2.897  -1.973   2.597  0.00  0.00    -0.465 OA
BRANCH  31  33
ATOM     32  C   LIG    1        3.096   0.433   2.559  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1        2.595  -0.775   3.327  0.00  0.00    +0.229 C 
ENDBRANCH  31  33
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH   1  24
TORSDOF 8