REMARK  Name = BDB055810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.488   0.810  -1.026  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -1.245  -0.370  -1.026  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -0.766  -1.521  -1.667  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        0.497  -1.519  -2.256  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.280  -0.368  -2.213  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.787   0.793  -1.617  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.253   2.257  -0.122  0.00  0.00    -0.312 N 
ATOM      8  H   LIG    1       -2.910   1.542  -0.409  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -0.914   2.092  -0.392  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -0.075   2.955  -0.152  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -3.054   4.518  -0.638  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -2.782   3.482   0.438  0.00  0.00    +0.101 C 
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  N   LIG    1        2.609  -0.364  -2.721  0.00  0.00    -0.216 N 
ATOM     14  H   LIG    1        3.015   0.530  -2.997  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        3.764  -1.371  -2.000  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        5.057  -0.860  -2.401  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        3.392  -2.751  -2.229  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.568  -1.026  -0.264  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        4.065   0.173   0.258  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.886   0.457   1.613  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        3.229  -0.461   2.436  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        3.002  -0.104   4.103  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        2.754  -1.667   1.917  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        2.925  -1.955   0.563  0.00  0.00    +0.030 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   2  25
ATOM     25  O   LIG    1       -2.487  -0.420  -0.434  0.00  0.00    -0.454 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.597  -1.200   0.695  0.00  0.00    +0.148 A 
ATOM     27  C   LIG    1       -1.615  -1.300   1.681  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1       -1.857  -2.101   2.793  0.00  0.00    +0.063 A 
ATOM     29 CL   LIG    1       -0.671  -2.264   4.022  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -3.075  -2.760   2.887  0.00  0.00    +0.131 A 
ATOM     31  N   LIG    1       -4.055  -2.668   1.955  0.00  0.00    -0.258 NA
ATOM     32  C   LIG    1       -3.794  -1.883   0.884  0.00  0.00    +0.157 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 7