REMARK  Name = BDB029908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.514  -1.904   0.421  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        2.427  -2.411   1.334  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        2.382  -2.163   2.325  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.736  -1.957  -0.789  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.789  -0.048   0.459  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.619  -0.696   0.028  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.286  -1.253   0.946  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.013  -1.157   2.309  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.862  -1.677   3.210  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -1.145  -0.518   2.748  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -1.490  -0.403   4.433  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -2.043   0.035   1.833  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -5.621   2.147  -1.817  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -4.376   1.481  -1.531  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -3.914   1.119  -0.296  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -2.693   0.520  -0.531  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -2.420   0.518  -1.881  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -3.448   1.101  -2.454  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        3.829  -2.674   0.777  0.00  0.00    -0.106 NA
ATOM     20  H   LIG    1        3.792  -2.937  -0.218  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.939  -1.373   0.953  0.00  0.00    +0.094 S 
ATOM     22  O   LIG    1        6.020  -1.595   0.016  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        5.161  -1.156   2.366  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.162   0.068   0.395  0.00  0.00    +0.236 A 
ATOM     25  N   LIG    1        3.211   0.723   1.139  0.00  0.00    -0.109 NA
ATOM     26  N   LIG    1        2.734   1.720   0.404  0.00  0.00    -0.066 NA
ATOM     27  N   LIG    1        3.372   1.691  -0.779  0.00  0.00    -0.263 N 
ATOM     28  H   LIG    1        3.123   2.378  -1.483  0.00  0.00    +0.190 HD
ATOM     29  C   LIG    1        4.279   0.678  -0.835  0.00  0.00    +0.155 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5