REMARK  Name = BDB023276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.916  -0.462  -1.617  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.581  -1.243  -2.167  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.081   0.277  -0.773  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.521   1.028   0.085  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.329   0.024  -0.997  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.222   0.569  -0.107  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.472   0.210  -0.501  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.409  -0.567  -1.645  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.616  -1.019  -2.190  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.827  -0.686  -1.576  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.863   0.093  -0.409  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.623  -1.769  -3.301  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.658   0.565   0.142  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.029  -0.683  -1.962  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        7.098   0.429   0.188  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        8.334  -0.301   0.102  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        8.824   0.531   1.298  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        9.507  -0.135   2.259  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        7.330   0.778   1.564  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -2.577  -0.348  -1.610  0.00  0.00    +0.079 S 
ATOM     21  O   LIG    1       -3.030  -1.457  -2.427  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.875   1.015  -1.992  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -4.042   0.033   0.740  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -3.064  -0.707   0.051  0.00  0.00    +0.165 A 
ATOM     25  C   LIG    1       -2.418  -1.781   0.675  0.00  0.00    +0.154 A 
ATOM     26  F   LIG    1       -1.508  -2.518   0.019  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1       -2.688  -2.117   1.994  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1       -3.612  -1.364   2.693  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -3.875  -1.662   3.972  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.279  -0.304   2.085  0.00  0.00    +0.063 A 
BRANCH  23  31
ATOM     31  N   LIG    1       -4.748   1.075   0.143  0.00  0.00    -0.329 N 
ATOM     32  C   LIG    1       -4.364   2.406   0.620  0.00  0.00    +0.129 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -6.328  -0.288  -1.218  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1       -6.159   0.899  -0.269  0.00  0.00    +0.067 C 
ATOM     35  C   LIG    1       -7.130   0.797   0.906  0.00  0.00    +0.027 C 
ENDBRANCH  31  34
ENDBRANCH  23  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6