REMARK  Name = BDB057650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.828   1.359  -0.119  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.945   0.691  -0.642  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -4.073   0.448   0.156  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -4.040   0.893   1.487  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -5.126   0.643   2.324  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -5.121   0.960   3.284  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -6.243  -0.035   1.936  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -6.298  -0.524   0.522  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -7.559  -1.290   0.225  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -7.476  -2.292  -1.285  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -6.705  -1.048  -2.343  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -5.333  -0.655  -1.800  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -7.167  -0.222   2.722  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.939   1.584   2.006  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -5.285  -0.259  -0.337  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.832   1.827   1.196  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1       -0.904   2.138  -2.101  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -0.676   1.613  -1.014  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        0.597   1.250  -0.593  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        0.888   0.327   0.508  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        2.163  -0.500   0.249  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        3.374   0.320   0.052  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1        3.066   1.577  -0.677  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        1.731   1.593  -1.445  0.00  0.00    +0.123 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.528  -0.417  -0.522  0.00  0.00    +0.057 C 
ATOM     26  C   LIG    1        4.776  -1.829   0.070  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        5.575  -1.773   1.365  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        6.977  -1.206   1.129  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        7.077  -0.360  -0.140  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.809   0.455  -0.366  0.00  0.00    +0.019 C 
ENDBRANCH  22  25
ENDBRANCH   1  18
TORSDOF 2