REMARK  Name = BDB059409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.482   0.196  -0.883  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.717   1.495  -1.375  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1       -0.322   2.244  -1.944  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.617   1.731  -1.977  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.862   0.463  -1.446  0.00  0.00    +0.106 A 
ATOM      6  C   LIG    1       -0.824  -0.309  -0.911  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1        3.511  -2.454   2.256  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        2.927  -1.829   1.040  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1        3.448  -1.858  -0.243  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1        2.599  -1.161  -1.085  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1        2.863  -1.060  -2.450  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1        3.963  -1.629  -2.960  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1        4.830  -2.309  -2.137  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        5.662  -2.745  -2.515  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        1.549  -0.649  -0.340  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1        4.649  -2.473  -0.771  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1        5.473  -3.094  -0.105  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        1.723  -1.079   0.966  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1       -3.505  -0.212  -1.465  0.00  0.00    +0.059 S 
ATOM     20  O   LIG    1       -4.346   0.704  -2.201  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1       -3.395  -1.607  -1.822  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1       -3.911  -0.085   0.168  0.00  0.00    -0.185 NA
ATOM     23  H   LIG    1       -3.527   0.759   0.593  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -5.275  -0.434   0.654  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1       -5.774  -1.762   0.080  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -5.159  -0.573   2.183  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1       -6.253   0.699   0.331  0.00  0.00    +0.029 C 
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH   5  19
BRANCH   2  28
ATOM     28  O   LIG    1        1.966   2.079  -1.399  0.00  0.00    -0.452 OA
BRANCH  28  29
ATOM     29  C   LIG    1        2.573   2.322  -0.185  0.00  0.00    +0.164 A 
ATOM     30  C   LIG    1        1.911   2.798   0.952  0.00  0.00    +0.168 A 
ATOM     31  F   LIG    1        0.598   3.068   0.929  0.00  0.00    -0.202 F 
ATOM     32  C   LIG    1        2.605   3.020   2.137  0.00  0.00    +0.080 A 
ATOM     33  C   LIG    1        3.971   2.774   2.175  0.00  0.00    +0.126 A 
ATOM     34  F   LIG    1        4.646   2.984   3.312  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        4.654   2.323   1.049  0.00  0.00    +0.042 A 
ATOM     36  C   LIG    1        3.954   2.106  -0.139  0.00  0.00    +0.052 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 6