REMARK  Name = BDB023154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.010  -1.208   0.149  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.033  -0.227   0.400  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.772  -1.866   0.050  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.672  -3.083   0.018  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.356  -0.954  -0.010  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.616  -1.501  -0.021  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.513  -0.482  -0.078  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.853   0.734  -0.109  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.633   1.894  -0.176  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.028   1.797  -0.203  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.673   0.552  -0.158  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.053   3.102  -0.216  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.901  -0.623  -0.105  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.467   0.428  -0.068  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.082   0.475  -0.200  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.908  -0.598   0.281  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.086   0.375   0.177  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.022   1.476   0.222  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.413  -2.049   0.459  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -3.688  -2.899  -0.679  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.363  -2.549   1.813  0.00  0.00    -0.150 OA
BRANCH  19  25
ATOM     22  C   LIG    1       -8.246  -0.355  -0.739  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -6.898  -0.070  -0.144  0.00  0.00    -0.048 A 
ATOM     24  C   LIG    1       -5.905  -1.059  -0.136  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1       -4.663  -0.797   0.455  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1       -4.411   0.438   1.033  0.00  0.00    +0.150 A 
ATOM     27  F   LIG    1       -3.211   0.721   1.561  0.00  0.00    -0.203 F 
ATOM     28  C   LIG    1       -5.393   1.423   1.044  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -6.637   1.167   0.463  0.00  0.00    +0.006 A 
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 4