REMARK  Name = BDB023268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.906  -1.063   2.188  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.306  -0.992   2.999  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.439  -0.905   0.879  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.191  -0.831  -0.082  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.005  -0.800   0.794  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.549  -0.476  -0.424  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.899  -0.431  -0.280  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.250  -0.725   1.026  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.612  -0.729   1.347  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.562  -0.436   0.364  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.179  -0.129  -0.951  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        5.017  -1.012   2.593  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.814  -0.135  -1.290  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.030  -0.965   1.714  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.155   0.150  -1.933  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        7.478   0.672  -1.722  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        7.513   0.990  -3.226  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        8.040   2.187  -3.579  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        5.980   0.914  -3.139  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -2.498  -1.333   2.585  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -2.532  -1.203   4.029  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.887  -2.570   1.949  0.00  0.00    -0.150 OA
BRANCH  20  26
ATOM     23  C   LIG    1       -3.048   3.858   2.357  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -3.526   2.511   1.904  0.00  0.00    -0.048 A 
ATOM     25  C   LIG    1       -2.917   1.344   2.376  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -3.341   0.079   1.926  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -4.379  -0.027   1.000  0.00  0.00    +0.147 A 
ATOM     28  C   LIG    1       -4.992   1.143   0.537  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -4.558   2.400   0.970  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  O   LIG    1       -4.857  -1.253   0.636  0.00  0.00    -0.487 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -4.974  -1.474  -0.778  0.00  0.00    +0.167 C 
ATOM     32  C   LIG    1       -6.448  -1.692  -1.110  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -4.171  -2.724  -1.127  0.00  0.00    +0.051 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 6