REMARK  Name = BDB023153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.180  -2.305   1.359  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.722  -1.493   1.762  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.687  -2.794   0.146  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.263  -3.633  -0.529  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.560  -2.163  -0.227  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.083  -1.177   0.574  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.234  -0.748  -0.013  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.464  -1.446  -1.188  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.615  -1.126  -1.917  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.481  -0.131  -1.454  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.219   0.569  -0.266  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.899  -1.766  -3.060  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.073   0.250   0.483  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.384  -2.355  -1.321  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.114   1.562   0.191  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.029   2.341  -0.596  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        6.160   3.260   0.622  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        4.820   2.663   1.065  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.738  -2.520   1.886  0.00  0.00    +0.079 S 
ATOM     20  O   LIG    1       -2.952  -1.473   2.870  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.892  -3.907   2.257  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.672  -0.790  -0.052  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1       -3.729  -2.099   0.487  0.00  0.00    +0.164 A 
ATOM     24  C   LIG    1       -4.543  -3.079  -0.078  0.00  0.00    +0.152 A 
ATOM     25  F   LIG    1       -4.650  -4.306   0.447  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -5.282  -2.809  -1.223  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -5.198  -1.555  -1.812  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.394  -0.565  -1.237  0.00  0.00    +0.025 A 
BRANCH  22  29
ATOM     29  N   LIG    1       -2.840   0.185   0.512  0.00  0.00    -0.340 N 
ATOM     30  H   LIG    1       -2.866   0.134   1.540  0.00  0.00    +0.146 HD
BRANCH  29  32
ATOM     31  C   LIG    1       -3.976   2.366   0.593  0.00  0.00    +0.027 C 
ATOM     32  C   LIG    1       -2.787   1.576   0.053  0.00  0.00    +0.064 C 
ATOM     33  C   LIG    1       -1.477   2.184   0.560  0.00  0.00    +0.027 C 
ENDBRANCH  29  32
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6