REMARK  Name = BDB059274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.807   1.388  -1.070  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.237   2.312  -0.136  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.764   2.497   0.745  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.503   1.059  -2.028  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.489  -0.245  -1.903  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -3.106  -0.327  -0.651  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -2.441   0.145   0.492  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1       -1.158   0.707   0.374  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -0.548   0.806  -0.880  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -1.214   0.316  -2.009  0.00  0.00    +0.058 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -3.043   0.064   1.781  0.00  0.00    -0.240 N 
ATOM     12  N   LIG    1       -2.393   0.539   2.875  0.00  0.00    -0.175 NA
ATOM     13  C   LIG    1       -3.225   0.311   3.892  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -4.413  -0.306   3.483  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -4.274  -0.455   2.123  0.00  0.00    +0.114 A 
ENDBRANCH   7  11
BRANCH   5  17
ATOM     16  C   LIG    1       -4.313  -1.260  -3.055  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.020  -0.670  -3.089  0.00  0.00    -0.495 OA
ENDBRANCH   5  17
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1        2.704   2.711  -0.187  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        3.116   2.578  -1.123  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.687   1.980   1.011  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        2.858   1.854   2.196  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        4.958   2.668   1.050  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.966   0.364   0.375  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        4.531   0.230  -0.886  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        4.841   1.309  -1.618  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        4.759  -1.034  -1.420  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.421  -2.169  -0.681  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        3.855  -2.035   0.589  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.624  -0.766   1.123  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6