REMARK  Name = BDB029798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.158   0.043  -1.288  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.886  -0.404  -1.601  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.550  -1.313  -1.269  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        2.460   1.232  -1.374  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.447  -1.403  -0.100  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.455  -0.510  -0.532  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.157  -0.959  -0.832  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.856  -2.314  -0.694  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.621  -2.765  -0.967  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.833  -3.210  -0.266  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.465  -4.884  -0.097  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.120  -2.761   0.028  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.533   1.306   0.701  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.593   0.222   0.568  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.282   0.327   0.196  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.798  -0.965   0.216  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        7.795  -1.838   0.594  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.860  -1.095   0.797  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.189   0.683  -1.721  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.258   1.615  -1.725  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.356   0.627  -0.471  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.473  -0.760  -0.072  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.997   1.662   0.470  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.815   1.113  -1.383  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.112   1.179  -0.566  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1       -4.429  -0.105   0.207  0.00  0.00    +0.114 C 
ATOM     27  N   LIG    1       -5.831  -0.070   0.727  0.00  0.00    -0.181 NA
ATOM     28  C   LIG    1       -6.301   1.279   1.159  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -5.133   2.178   1.542  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -4.190   2.406   0.359  0.00  0.00    +0.008 C 
BRANCH  27  31
ATOM     31  S   LIG    1       -6.950  -0.994  -0.169  0.00  0.00    +0.029 S 
ATOM     32  O   LIG    1       -7.414  -0.172  -1.267  0.00  0.00    -0.158 OA
ATOM     33  O   LIG    1       -6.368  -2.296  -0.409  0.00  0.00    -0.158 OA
ATOM     34  C   LIG    1       -8.281  -1.203   0.996  0.00  0.00    +0.215 C 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7