REMARK  Name = BDB023123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.587  -3.206  -3.403  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.478  -2.296  -2.595  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -0.384  -1.206  -2.753  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.519  -0.606  -1.942  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.222  -2.216  -1.356  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.023  -1.145  -0.517  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        1.834  -1.321   0.562  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.553  -2.500   0.437  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.430  -2.838   1.474  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.559  -1.993   2.582  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        2.832  -0.797   2.676  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.149  -3.967   1.420  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        1.937  -0.452   1.648  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.157  -3.070  -0.800  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        2.969   0.037   3.808  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        4.094   0.117   4.699  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        3.488   1.428   5.208  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.729   1.452   3.878  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -1.657  -1.233  -3.815  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.116  -1.061  -5.147  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.534  -2.331  -3.476  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.553   0.259  -3.429  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.746   0.679  -2.107  0.00  0.00    +0.150 A 
ATOM     24  O   LIG    1       -2.206  -0.075  -1.098  0.00  0.00    -0.490 OA
ATOM     25  C   LIG    1       -2.195   0.525   0.202  0.00  0.00    +0.229 C 
ATOM     26  C   LIG    1       -3.519   1.181   0.540  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1       -3.767   2.305  -0.452  0.00  0.00    +0.042 C 
ATOM     28  C   LIG    1       -3.498   1.838  -1.856  0.00  0.00    -0.004 A 
ATOM     29  C   LIG    1       -3.993   2.590  -2.933  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.772   2.181  -4.246  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.057   1.013  -4.498  0.00  0.00    +0.032 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4