REMARK  Name = BDB023132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.642  -1.319  -0.806  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.224  -1.504  -1.304  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.619  -0.563   0.366  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.617  -0.239   0.989  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.726  -0.178   0.736  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.781  -0.558  -0.059  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.915  -0.068   0.514  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.607   0.630   1.672  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.665   1.208   2.383  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.977   1.063   1.920  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.264   0.340   0.753  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.435   1.903   3.505  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.209  -0.234   0.021  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.197   0.556   1.810  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.595   0.217   0.296  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.133  -0.818  -0.543  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.519  -0.326  -0.116  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.795   0.294   1.083  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.984  -2.013  -1.476  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.606  -2.863  -0.488  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.520  -2.578  -2.729  0.00  0.00    -0.150 OA
BRANCH  19  30
ATOM     22  C   LIG    1       -6.838  -1.000   0.860  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1       -5.665  -0.105   0.459  0.00  0.00    +0.109 C 
ATOM     24  O   LIG    1       -4.624  -0.961  -0.083  0.00  0.00    -0.484 OA
ATOM     25  C   LIG    1       -4.132  -0.301  -1.174  0.00  0.00    +0.151 A 
ATOM     26  C   LIG    1       -4.907   0.792  -1.537  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.585   1.579  -2.631  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.447   1.252  -3.370  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -2.657   0.150  -3.006  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1       -2.998  -0.631  -1.889  0.00  0.00    +0.150 A 
ATOM     31  C   LIG    1       -6.079   0.902  -0.633  0.00  0.00    +0.086 C 
ATOM     32  C   LIG    1       -5.098   0.599   1.699  0.00  0.00    +0.056 C 
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 4