REMARK  Name = BDB015436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.318   0.163   1.134  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.449   1.296   1.449  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -1.119   1.058   2.735  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -0.386  -0.190   3.220  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1        0.363  -0.738   2.063  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.420  -0.857  -1.488  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.555  -1.721  -0.664  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        1.090  -1.249  -0.686  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.932   0.097  -0.083  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        2.153   0.937  -0.218  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.992   0.555  -1.455  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1        5.403  -0.594   0.082  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        4.850  -1.069  -1.259  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1       -1.246   2.318   0.377  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1       -1.989   3.288   1.161  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -0.357   2.772  -0.671  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.453   1.242  -0.381  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -3.743   1.150   0.155  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -4.701   0.324  -0.455  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1       -4.351  -0.374  -1.622  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.071  -0.256  -2.169  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.122   0.558  -1.553  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -6.096   0.223   0.115  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -6.725  -0.940  -0.210  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -6.907   1.225  -0.319  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -6.114   0.286   1.476  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 5