REMARK  Name = BDB059305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.314   0.029   0.994  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.476  -0.669   0.708  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.468  -1.351  -0.053  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.331   1.157   1.479  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.347  -0.401   0.157  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1       -2.110   0.176   0.481  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -0.972  -0.633   0.645  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.076  -2.020   0.505  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.307  -2.579   0.184  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -2.403  -3.908   0.050  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -3.438  -1.791   0.005  0.00  0.00    +0.066 A 
BRANCH   5  15
ATOM     12  C   LIG    1       -7.986   0.577  -0.766  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -6.567   0.838  -0.428  0.00  0.00    +0.060 A 
ATOM     14  N   LIG    1       -5.701  -0.176  -0.336  0.00  0.00    -0.172 NA
ATOM     15  N   LIG    1       -4.512   0.398  -0.019  0.00  0.00    -0.240 N 
ATOM     16  C   LIG    1       -4.634   1.766   0.088  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -5.948   2.076  -0.171  0.00  0.00    +0.044 A 
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  N   LIG    1        2.768   0.182   0.754  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.560   1.102   1.175  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.451   0.452  -0.796  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.208   1.837  -1.131  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.002  -0.633  -1.648  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.175   0.232  -0.458  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.992   1.349  -0.262  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        7.354   1.167  -0.018  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.891  -0.121   0.022  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.072  -1.233  -0.187  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.710  -1.060  -0.432  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5