REMARK  Name = BDB059410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.036   0.885   0.122  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.033   0.402  -0.745  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1        2.080   1.230  -1.171  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        2.165   2.541  -0.705  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.188   3.020   0.171  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1        0.135   2.201   0.595  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.165  -1.786   3.066  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.513  -1.158   1.887  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -2.903  -1.268   0.563  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -2.036  -0.529  -0.223  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -2.222  -0.434  -1.602  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -3.239  -1.084  -2.185  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -4.101  -1.837  -1.423  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -4.868  -2.335  -1.857  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.069   0.043   0.591  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -4.007  -1.984  -0.047  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -4.822  -2.672   0.561  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.366  -0.322   1.896  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1        1.302   4.678   0.800  0.00  0.00    -0.006 S 
ATOM     20  O   LIG    1        0.746   4.670   2.139  0.00  0.00    -0.170 OA
ATOM     21  O   LIG    1        2.654   5.145   0.558  0.00  0.00    -0.170 OA
ATOM     22  C   LIG    1        0.208   5.593  -0.254  0.00  0.00    +0.200 C 
ENDBRANCH   5  19
BRANCH   2  23
ATOM     23  O   LIG    1        0.946  -0.885  -1.230  0.00  0.00    -0.452 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.960  -1.746  -0.876  0.00  0.00    +0.164 A 
ATOM     25  C   LIG    1        2.471  -2.579  -1.874  0.00  0.00    +0.168 A 
ATOM     26  F   LIG    1        2.006  -2.489  -3.129  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        3.471  -3.501  -1.592  0.00  0.00    +0.080 A 
ATOM     28  C   LIG    1        3.950  -3.593  -0.292  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        4.914  -4.478  -0.006  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        3.441  -2.785   0.723  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        2.436  -1.860   0.434  0.00  0.00    +0.052 A 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 4