REMARK  Name = BDB059408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.433  -0.421   0.659  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        0.556   0.423   1.774  0.00  0.00    +0.230 A 
ATOM      3  N   LIG    1        1.734   0.714   2.382  0.00  0.00    -0.218 NA
ATOM      4  C   LIG    1        2.852   0.169   1.847  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1        2.830  -0.644   0.731  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        1.611  -0.951   0.126  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.451  -0.747  -2.632  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.602  -0.895  -1.421  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -2.947  -1.519  -0.234  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.877  -1.442   0.640  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -1.938  -2.025   1.905  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -3.056  -2.653   2.296  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -4.137  -2.725   1.449  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -4.987  -3.191   1.741  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -0.848  -0.742   0.028  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1       -4.169  -2.185   0.171  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -5.174  -2.294  -0.526  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.274  -0.421  -1.252  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1        4.329  -1.302   0.093  0.00  0.00    +0.062 S 
ATOM     20  O   LIG    1        5.434  -0.692   0.800  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        4.166  -2.738   0.043  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        4.358  -0.703  -1.510  0.00  0.00    -0.183 NA
ATOM     23  C   LIG    1        5.319  -1.424  -2.377  0.00  0.00    +0.131 C 
ATOM     24  C   LIG    1        4.521   0.765  -1.631  0.00  0.00    +0.131 C 
ENDBRANCH  19  22
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1       -0.557   0.974   2.375  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.120   2.051   1.728  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1       -2.516   2.108   1.685  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -3.246   1.133   2.246  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -3.171   3.160   1.058  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1       -2.414   4.173   0.484  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -3.031   5.194  -0.123  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -1.022   4.151   0.538  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -0.368   3.090   1.167  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5