REMARK  Name = BDB059342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.127  -1.580  -0.701  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.942  -2.672  -0.469  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.889  -3.234   0.379  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.369  -0.768  -1.591  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.350  -0.645   0.417  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.201  -0.816  -0.360  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.062  -1.430   0.175  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -0.064  -1.853   1.509  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.211  -1.683   2.286  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.352  -1.086   1.741  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -3.391  -0.043  -0.232  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.571   0.219   0.525  0.00  0.00    +0.229 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.588   0.927  -0.370  0.00  0.00    +0.041 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -4.763   3.305   0.055  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -5.091   2.241  -0.981  0.00  0.00    -0.000 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        3.310  -2.642  -1.145  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        3.320  -1.962  -1.919  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        4.622  -2.389  -0.072  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        4.219  -2.860   1.238  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        5.807  -2.909  -0.721  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.756  -0.632  -0.045  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        3.915   0.110   0.773  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        2.971  -0.476   1.522  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        4.024   1.497   0.816  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        4.989   2.143   0.043  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.846   1.399  -0.770  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.735   0.008  -0.815  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 8