REMARK  Name = BDB059364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.571   0.762  -0.160  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.424   0.740   0.929  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.231   0.117   1.718  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.940   1.192  -1.252  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.988  -1.456   2.649  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.548  -0.816   1.366  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -1.242  -0.331   1.226  0.00  0.00    +0.139 A 
ATOM      8  F   LIG    1       -0.409  -0.426   2.275  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -0.805   0.235   0.028  0.00  0.00    +0.077 A 
ATOM     10  C   LIG    1       -1.696   0.302  -1.052  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -3.000  -0.190  -0.939  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1       -3.420  -0.753   0.268  0.00  0.00    +0.051 A 
BRANCH  11  13
ATOM     13  O   LIG    1       -3.752  -0.061  -2.071  0.00  0.00    -0.492 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -5.088  -0.567  -2.040  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.784  -0.317  -3.348  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1       -5.044  -0.304  -4.663  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -5.603   0.977  -4.102  0.00  0.00    +0.007 C 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1        2.920   0.915   0.597  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        3.015   1.216  -0.387  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.834  -0.521   0.800  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        4.112  -1.032  -0.523  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.170  -1.323   1.808  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.331   0.115   1.498  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.318   0.602   2.809  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.497   1.092   3.370  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.679   1.086   2.626  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.687   0.590   1.320  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.512   0.101   0.751  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7