REMARK  Name = BDB029752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.668  -0.131   0.914  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.408  -0.723   1.552  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.359  -1.699   1.860  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.524   0.875   0.220  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.407  -0.679   0.590  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.113  -0.139   0.474  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.006  -0.756   1.081  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.204  -1.927   1.810  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.165  -2.544   2.398  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.481  -2.472   1.935  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.726  -3.917   2.841  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.579  -1.856   1.330  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -6.894   2.798  -1.645  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -6.657   1.511  -1.037  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1       -5.447   1.236  -0.527  0.00  0.00    -0.171 NA
ATOM     16  C   LIG    1       -5.547  -0.015  -0.051  0.00  0.00    +0.093 A 
ATOM     17  C   LIG    1       -6.859  -0.520  -0.275  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1       -7.545   0.488  -0.909  0.00  0.00    +0.108 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.794  -0.273   1.067  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.686   0.508   0.398  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.700  -1.523   0.335  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.193  -2.765   0.888  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.689  -1.281  -1.088  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.326  -1.234   1.017  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.190  -0.116   0.426  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        5.769  -0.446  -0.958  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.672   0.687  -1.439  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        5.973   1.931  -1.443  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        5.514   2.305  -0.145  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        4.535   1.268   0.398  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6