REMARK  Name = BDB059339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.872   1.235  -1.428  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.534   0.801  -2.565  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.192  -0.031  -3.047  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.437   1.872  -0.543  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -3.552  -0.079  -3.452  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.689   0.211  -2.259  0.00  0.00    -0.049 A 
ATOM      7  C   LIG    1       -3.203   0.055  -0.961  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.426   0.300   0.190  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.091   0.699  -0.012  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.552   0.831  -1.300  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -1.354   0.591  -2.421  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -2.987   0.142   1.548  0.00  0.00    +0.160 A 
ATOM     13  N   LIG    1       -2.165   0.344   2.598  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -2.703   0.198   3.823  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -4.016  -0.143   4.040  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -4.771  -0.332   2.909  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1       -4.287  -0.199   1.659  0.00  0.00    -0.236 NA
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1        3.069   0.885  -2.504  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        3.382   1.662  -1.903  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.827  -0.583  -2.031  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        5.208  -0.549  -2.454  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.932  -1.647  -2.452  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.797  -0.516  -0.274  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        4.356   0.581   0.366  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        4.891   1.588  -0.339  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        4.341   0.666   1.755  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        3.761  -0.359   2.504  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        3.198  -1.464   1.862  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.214  -1.548   0.468  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5