REMARK  Name = BDB030019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.104  -1.246  -0.661  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.764  -1.723   0.180  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -2.324  -0.596  -0.661  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -2.598   0.256  -1.506  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.303  -0.947   0.401  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.037  -1.898   1.385  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -1.855  -2.536   1.410  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -3.994  -2.193   2.354  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -3.668  -3.370   3.569  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.225  -1.539   2.350  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.516  -0.575   1.373  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.545  -0.288   0.401  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.808   0.091   1.396  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -7.799  -0.232   2.298  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -8.804   0.568   2.024  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -8.507   1.396   0.984  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -9.377   2.400   0.427  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -7.236   1.108   0.567  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.009  -0.607  -1.526  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.423   0.131  -2.120  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.270   0.070  -0.610  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.033   1.495  -0.568  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.382  -0.727   0.594  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.649  -0.272  -1.698  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1        6.895   0.347  -0.749  0.00  0.00    +0.118 C 
ATOM     26  C   LIG    1        5.879   0.449   0.392  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        4.534  -0.175   0.024  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1        3.952   0.419  -1.268  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        4.981   0.317  -2.407  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1        6.314   0.952  -2.029  0.00  0.00    +0.032 C 
BRANCH  25  32
ATOM     31  C   LIG    1        8.935   0.419   0.487  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        8.089   1.074  -0.449  0.00  0.00    -0.380 OA
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7