REMARK  Name = BDB057738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.675   0.223  -0.044  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.747  -1.272   0.155  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        2.918  -1.781   0.739  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        3.062  -3.154   0.960  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.041  -4.025   0.585  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.884  -3.529  -0.018  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.958  -0.836   1.066  0.00  0.00    +0.186 A 
ATOM      8  N   LIG    1        3.760   0.492   0.787  0.00  0.00    -0.196 N 
ATOM      9  C   LIG    1        4.910   1.122   1.190  0.00  0.00    +0.152 A 
ATOM     10  N   LIG    1        5.750   0.227   1.679  0.00  0.00    -0.132 NA
ATOM     11  C   LIG    1        5.116   2.579   1.075  0.00  0.00    +0.090 C 
ATOM     12  N   LIG    1        5.147  -1.011   1.599  0.00  0.00    -0.127 NA
ATOM     13  C   LIG    1        0.736  -2.157  -0.240  0.00  0.00    +0.011 A 
ATOM     14  N   LIG    1        2.644   1.055   0.236  0.00  0.00    -0.163 NA
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1       -3.075   2.731  -2.240  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1       -1.884   2.047  -1.630  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1       -1.929   1.328  -0.420  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -0.766   0.738   0.106  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        0.436   0.829  -0.593  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        0.502   1.541  -1.789  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -0.651   2.139  -2.303  0.00  0.00    +0.006 A 
BRANCH  17  22
ATOM     22  S   LIG    1       -3.413   1.096   0.548  0.00  0.00    +0.061 S 
ATOM     23  O   LIG    1       -3.124   1.598   1.874  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1       -4.576   1.538  -0.188  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1       -3.514  -0.619   0.636  0.00  0.00    -0.183 NA
ATOM     26  C   LIG    1       -4.421  -1.082   1.713  0.00  0.00    +0.131 C 
ATOM     27  C   LIG    1       -3.823  -1.284  -0.651  0.00  0.00    +0.131 C 
ENDBRANCH  22  25
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 3