REMARK  Name = BDB029796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.047  -0.119   0.618  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.006  -0.547   1.406  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.052  -1.432   1.920  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.888   0.719  -0.268  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.753  -0.791   0.248  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.461  -0.277   0.066  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.389  -0.710   0.865  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.620  -1.667   1.853  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.610  -2.102   2.625  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.900  -2.184   2.045  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.188  -3.364   3.266  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.961  -1.750   1.250  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        7.636   1.382  -3.165  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.145   0.594  -2.064  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.851   0.515  -1.633  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.880  -0.360  -0.566  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        7.167  -0.804  -0.353  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.902  -0.213  -1.267  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.407  -0.197   0.886  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.327   0.462   0.094  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.309  -1.558   0.391  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.286  -1.580  -1.054  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.817  -2.679   1.168  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.954  -1.144   0.969  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.721  -0.150   0.088  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -6.205  -0.134   0.483  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.042   0.735  -0.460  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -6.265   1.902  -1.067  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -5.158   2.379  -0.140  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.138   1.274   0.150  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6