REMARK  Name = BDB023318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.518  -1.741   0.218  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.141  -2.305  -0.534  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.632  -1.021   1.036  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.910  -0.640   2.162  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.649  -0.782   0.396  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.652  -0.238   1.161  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.749  -0.097   0.372  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.475  -0.541  -0.911  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.500  -0.458  -1.859  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.750   0.052  -1.494  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.006   0.483  -0.183  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.295  -0.864  -3.120  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.980   0.419   0.776  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.124  -0.977  -0.892  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.271   1.008   0.163  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.531   0.729  -0.468  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.190   1.350   0.767  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.862   1.060   1.471  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.019  -2.279   0.675  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.125  -3.570   0.020  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.255  -2.155   2.092  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.039   0.188  -0.100  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -4.154  -1.199  -0.160  0.00  0.00    +0.151 A 
ATOM     24  C   LIG    1       -5.191  -1.781  -0.911  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1       -6.107  -0.981  -1.615  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1       -5.954   0.412  -1.575  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -4.926   0.990  -0.827  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -7.204  -1.615  -2.438  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1       -7.710  -2.743  -1.868  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -6.771  -1.979  -3.676  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -8.268  -0.789  -2.640  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
BRANCH  22  32
ATOM     32  O   LIG    1       -3.027   0.812   0.572  0.00  0.00    -0.490 OA
BRANCH  32  34
ATOM     33  C   LIG    1       -2.503   2.408   2.276  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1       -3.480   1.334   1.831  0.00  0.00    +0.226 C 
ENDBRANCH  32  34
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7