REMARK  Name = BDB059393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.150   0.346   0.568  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.572   0.442  -0.607  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.732  -0.358  -1.216  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.137   1.230   1.420  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.969  -1.874   1.699  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.155  -0.762   1.500  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.974  -0.877   0.752  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -0.593  -2.119   0.224  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -1.403  -3.243   0.423  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -1.027  -4.570  -0.168  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.598  -3.102   1.141  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -4.154  -1.897   2.381  0.00  0.00    -0.488 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -4.478  -0.800   3.237  0.00  0.00    +0.256 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -6.574   0.551   2.900  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -5.351   0.176   2.503  0.00  0.00    +0.006 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        1.689   1.493  -0.624  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        1.627   2.088   0.220  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.261   0.813  -0.686  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        3.854   0.918   0.627  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        3.113  -0.472  -1.347  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.103   1.900  -1.776  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        4.174   3.248  -1.452  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        3.598   3.725  -0.340  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        4.841   4.136  -2.292  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.440   3.666  -3.462  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.369   2.309  -3.788  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.700   1.420  -2.945  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 7