REMARK  Name = BDB059909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.447  -0.845  -1.671  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1       -1.889  -0.506  -0.443  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -0.520  -0.633  -0.642  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.438  -0.430   0.368  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.058  -0.131   1.579  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -1.294   0.025   1.793  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.319  -1.008  -1.942  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1       -2.279  -0.118   0.875  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -1.447  -1.100  -2.602  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.635   0.183   1.367  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -4.059   1.516   1.483  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.327   1.813   1.987  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.176   0.782   2.387  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.756  -0.543   2.290  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.486  -0.842   1.791  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  C   LIG    1       -4.704   0.692  -2.184  0.00  0.00    +0.202 C 
ATOM     17  S   LIG    1       -4.126  -0.980  -2.127  0.00  0.00    +0.013 S 
ATOM     18  O   LIG    1       -4.768  -1.701  -1.049  0.00  0.00    -0.168 OA
ATOM     19  O   LIG    1       -4.127  -1.499  -3.482  0.00  0.00    -0.168 OA
ENDBRANCH   1  17
BRANCH   4  20
ATOM     20  N   LIG    1        1.781  -0.570   0.100  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.255  -0.691   0.994  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.461   0.502  -0.623  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.883   0.109  -0.881  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.894   0.268   0.063  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.839   0.781   1.453  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        6.336   0.929   1.725  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        7.065   0.058   0.832  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        6.192  -0.151  -0.204  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.546  -0.744  -1.399  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.552  -0.908  -2.363  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.242  -0.486  -2.099  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.309  -0.667  -3.045  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5