REMARK  Name = BDB059297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.671   0.813  -1.823  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.000   1.085  -0.830  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -1.490   0.910   0.453  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.886   0.906   1.270  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.373   1.636  -0.972  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.364   1.465   0.008  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        2.662   2.000  -0.151  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        2.931   2.697  -1.342  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        1.951   2.848  -2.319  0.00  0.00    +0.125 A 
ATOM     10  F   LIG    1        2.244   3.506  -3.448  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.678   2.326  -2.147  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  C   LIG    1        3.695   1.827   0.891  0.00  0.00    +0.160 A 
ATOM     13  N   LIG    1        3.333   1.209   2.033  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        4.292   1.063   2.968  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        5.580   1.514   2.811  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        5.847   2.134   1.615  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        4.931   2.303   0.643  0.00  0.00    -0.236 NA
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1       -2.737   0.027   0.560  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -3.297   0.088  -0.302  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -2.410  -1.612   0.964  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1       -0.989  -1.842   0.791  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -3.064  -1.887   2.225  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.274  -2.474  -0.323  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1       -2.705  -2.543  -1.599  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -3.380  -3.218  -2.615  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.608  -3.829  -2.352  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.162  -3.771  -1.071  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.494  -3.096  -0.049  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5