REMARK  Name = BDB055804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.392  -1.143  -0.094  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -1.378   0.247   0.095  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -0.210   0.983  -0.150  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        0.935   0.342  -0.623  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.916  -1.033  -0.846  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.234  -1.774  -0.577  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -3.527  -1.554   1.035  0.00  0.00    -0.312 N 
ATOM      8  H   LIG    1       -3.363  -0.689   1.534  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.580  -2.010   0.148  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -2.664  -3.091  -0.427  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -4.361  -3.325   2.514  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -4.683  -2.345   1.400  0.00  0.00    +0.101 C 
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  N   LIG    1        2.096  -1.701  -1.278  0.00  0.00    -0.216 N 
ATOM     14  H   LIG    1        1.976  -2.472  -1.938  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        3.231  -2.133  -0.097  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        4.066  -3.155  -0.692  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        2.559  -2.346   1.166  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.227  -0.665   0.030  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        5.100  -0.340  -1.016  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        5.898   0.803  -0.919  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        5.820   1.607   0.228  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        4.953   1.272   1.280  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        4.157   0.129   1.181  0.00  0.00    +0.031 A 
BRANCH  21  24
ATOM     24  N   LIG    1        6.656   2.811   0.330  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        7.422   3.061  -0.610  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        6.538   3.509   1.348  0.00  0.00    -0.126 OA
ENDBRANCH  21  24
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   2  27
ATOM     27  O   LIG    1       -2.486   0.907   0.577  0.00  0.00    -0.454 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.081   1.813  -0.269  0.00  0.00    +0.148 A 
ATOM     29  C   LIG    1       -3.270   1.601  -1.635  0.00  0.00    +0.069 A 
ATOM     30  C   LIG    1       -3.915   2.581  -2.383  0.00  0.00    +0.063 A 
ATOM     31 CL   LIG    1       -4.158   2.369  -4.069  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1       -4.360   3.728  -1.740  0.00  0.00    +0.131 A 
ATOM     33  N   LIG    1       -4.207   3.953  -0.412  0.00  0.00    -0.258 NA
ATOM     34  C   LIG    1       -3.579   2.983   0.293  0.00  0.00    +0.157 A 
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8