REMARK  Name = BDB059383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.198  -0.014   0.807  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.438   0.588   0.665  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.522   1.411   0.065  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.076  -1.213   1.042  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.373   1.006   0.107  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        2.217   0.234   0.293  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        0.996   0.852   0.616  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        0.936   2.240   0.772  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.089   2.994   0.586  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        2.028   4.323   0.737  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.300   2.398   0.253  0.00  0.00    +0.066 A 
BRANCH   5  15
ATOM     12  C   LIG    1        7.022  -2.259  -1.009  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        6.241  -1.036  -0.719  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        4.901  -0.932  -0.411  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        4.620   0.405  -0.226  0.00  0.00    -0.240 N 
ATOM     16  N   LIG    1        5.729   1.166  -0.406  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1        6.694   0.296  -0.702  0.00  0.00    +0.138 A 
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  N   LIG    1       -2.622  -0.398   0.520  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -2.302  -1.356   0.741  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.294  -0.415  -1.057  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1       -2.897  -1.662  -1.673  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -2.987   0.868  -1.659  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -5.026  -0.474  -0.696  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1       -5.706  -1.694  -0.746  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -7.075  -1.727  -0.480  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -7.757  -0.547  -0.176  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.075   0.670  -0.140  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.706   0.712  -0.404  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5