REMARK  Name = BDB051204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.044   2.582  -0.521  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -0.022   3.324  -1.634  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.595   2.810  -2.723  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.223   1.558  -2.736  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -1.777   1.075  -3.951  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.729   1.839  -5.117  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.125   3.086  -5.087  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.234   0.880  -1.500  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1       -0.565   3.556  -3.896  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.621   1.377  -0.409  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.870  -0.390  -1.408  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -2.736  -0.403  -1.938  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.790  -1.247  -0.355  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.829  -1.167   0.619  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1       -0.095  -0.469   0.687  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1       -0.928  -2.125   1.564  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1       -1.977  -2.856   1.166  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -2.380  -4.056   1.938  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -2.554  -2.343  -0.022  0.00  0.00    +0.068 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  20
ATOM     20  S   LIG    1        0.740   3.270   0.921  0.00  0.00    -0.050 S 
BRANCH  20  24
ATOM     21  C   LIG    1        3.001  -0.441   2.404  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        1.819  -0.038   3.029  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        1.144   1.106   2.590  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        1.634   1.849   1.511  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        2.823   1.453   0.895  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        3.500   0.315   1.341  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1        3.280  -2.332   3.817  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        3.751  -1.542   2.732  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5