REMARK  Name = BDB050780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.145   0.867   0.630  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1       -3.044   0.090   0.699  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -1.899   0.575   0.194  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -1.803   1.790  -0.361  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -2.915   2.542  -0.408  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1       -4.128   2.128   0.077  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.405  -1.163   3.137  0.00  0.00    +0.067 C 
ATOM      8  C   LIG    1       -5.487  -0.622   2.271  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -5.349   0.259   1.204  0.00  0.00    +0.062 A 
ATOM     10  S   LIG    1       -6.907   0.562   0.534  0.00  0.00    -0.051 S 
ATOM     11  C   LIG    1       -7.621  -0.457   1.707  0.00  0.00    +0.156 A 
ATOM     12  N   LIG    1       -6.790  -1.017   2.545  0.00  0.00    -0.230 NA
BRANCH  11  13
ATOM     13  N   LIG    1       -8.947  -0.671   1.739  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -9.450  -0.565   0.867  0.00  0.00    +0.144 HD
ATOM     15  H   LIG    1       -9.222  -1.494   2.265  0.00  0.00    +0.144 HD
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  N   LIG    1       -0.809  -0.284   0.292  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1       -1.109  -1.147   0.721  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        0.531  -0.206  -0.096  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        1.371  -1.295   0.158  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.728  -1.276  -0.204  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        3.314  -0.172  -0.835  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        2.462   0.913  -1.080  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        1.103   0.898  -0.721  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  N   LIG    1        4.649  -0.153  -1.189  0.00  0.00    -0.326 N 
ATOM     25  C   LIG    1        5.365   1.099  -1.477  0.00  0.00    +0.133 C 
ATOM     26  C   LIG    1        6.870   0.920  -1.210  0.00  0.00    +0.178 C 
ATOM     27  O   LIG    1        7.484  -0.117  -1.988  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        6.577  -1.169  -2.346  0.00  0.00    +0.178 C 
ATOM     29  C   LIG    1        5.438  -1.387  -1.337  0.00  0.00    +0.133 C 
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5