REMARK  Name = BDB023135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.874  -0.755  -0.739  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.505   0.405  -0.633  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.403   1.477  -0.670  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -1.145   2.406  -0.359  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.870   0.814  -0.425  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.801  -0.171  -0.206  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.009   0.428  -0.037  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.880   1.802  -0.144  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.036   2.576   0.009  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.264   1.955   0.256  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.370   0.559   0.348  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.976   3.913  -0.076  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.214  -0.230   0.208  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.504   2.047  -0.395  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.618  -0.048   0.610  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.921   0.480   0.314  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.454  -0.937   0.549  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.015  -1.391   0.287  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -3.041   1.302  -0.879  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.614   2.601  -0.592  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.227   0.694  -2.177  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.572   0.213   0.416  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -4.455  -0.875   0.190  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -4.750  -1.655   1.336  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -4.239  -1.371   2.608  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -3.402  -0.283   2.787  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -3.074   0.503   1.693  0.00  0.00    +0.150 A 
ATOM     28  F   LIG    1       -2.256   1.547   1.897  0.00  0.00    -0.203 F 
BRANCH  23  29
ATOM     29  C   LIG    1       -5.103  -1.232  -1.241  0.00  0.00    +0.021 C 
ATOM     30  C   LIG    1       -6.251  -2.283  -1.372  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1       -7.253  -1.120  -1.278  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -6.136  -0.211  -1.821  0.00  0.00    +0.008 C 
ENDBRANCH  23  29
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 5