REMARK  Name = BDB023150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.899  -1.113  -0.136  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.057  -1.597  -0.437  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.809   0.174   0.395  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.782   0.872   0.637  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.562   0.595   0.576  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.581  -0.247   0.205  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.752   0.393   0.474  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.503   1.645   1.013  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.607   2.441   1.342  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.903   1.961   1.127  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.128   0.684   0.591  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.435   3.665   1.859  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.028  -0.122   0.243  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.092   1.770   1.077  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.444   0.223   0.369  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.886  -1.142   0.290  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.309  -0.602   0.456  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.638   0.639   1.052  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.314  -1.897  -0.490  0.00  0.00    +0.079 S 
ATOM     20  O   LIG    1       -1.939  -3.073  -1.250  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.007  -2.048   0.770  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.477  -0.384  -1.318  0.00  0.00    +0.148 A 
ATOM     23  C   LIG    1       -3.167  -0.806  -1.601  0.00  0.00    +0.164 A 
ATOM     24  C   LIG    1       -2.545  -0.361  -2.783  0.00  0.00    +0.048 A 
ATOM     25 BR   LIG    1       -0.789  -0.840  -3.348  0.00  0.00    -0.048 Br
ATOM     26  C   LIG    1       -3.227   0.498  -3.657  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -4.527   0.901  -3.378  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.153   0.451  -2.220  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     29  O   LIG    1       -5.145  -0.873  -0.229  0.00  0.00    -0.487 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -7.277  -0.178   0.625  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.779   0.111   0.606  0.00  0.00    +0.167 C 
ATOM     32  C   LIG    1       -5.203  -0.014   2.013  0.00  0.00    +0.051 C 
ENDBRANCH  29  31
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6