REMARK  Name = BDB062623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.411   2.975   1.100  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.334   4.208   1.239  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.326   2.526   2.128  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -4.963  -3.264  -0.241  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -3.706  -2.577   0.235  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -3.636  -1.221  -0.032  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -2.578  -0.365   0.326  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.843   0.935  -0.112  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -1.949   1.971   0.116  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -0.763   1.673   0.795  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -0.497   0.372   1.256  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.155   1.016  -0.822  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.411  -0.659   1.013  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.665  -0.427  -0.726  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -2.838  -3.231   0.812  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.246   3.085  -0.369  0.00  0.00    -0.213 N 
ATOM     17  H   LIG    1        0.727   3.659  -1.037  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.840   1.898  -0.900  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1        1.314   1.330  -2.062  0.00  0.00    +0.148 A 
ATOM     20  F   LIG    1        0.280   1.921  -2.680  0.00  0.00    -0.203 F 
ATOM     21  C   LIG    1        1.837   0.157  -2.580  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1        2.904  -0.456  -1.925  0.00  0.00    +0.137 A 
ATOM     23  F   LIG    1        3.368  -1.602  -2.445  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        3.462   0.088  -0.755  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        2.910   1.279  -0.251  0.00  0.00    +0.041 A 
BRANCH  24  26
ATOM     26  C   LIG    1        4.573  -0.545  -0.054  0.00  0.00    +0.138 A 
ATOM     27  O   LIG    1        5.354  -1.395  -0.784  0.00  0.00    -0.463 OA
ATOM     28  C   LIG    1        6.326  -1.865   0.037  0.00  0.00    +0.196 A 
ATOM     29  C   LIG    1        6.194  -1.326   1.294  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        5.066  -0.470   1.236  0.00  0.00    +0.050 A 
ENDBRANCH  24  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4