REMARK  Name = BDB056067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.578  -2.165  -0.875  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -0.834  -2.337  -0.964  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1       -1.145  -3.506  -1.541  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1        0.039  -4.049  -1.846  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        0.043  -4.958  -2.299  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1        1.106  -3.284  -1.474  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.942  -1.320  -0.500  0.00  0.00    +0.161 A 
ATOM      8  N   LIG    1       -1.680  -0.054  -0.039  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -0.767   0.370   0.011  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -2.868   0.556   0.267  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -3.827  -0.399  -0.044  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -5.180  -0.098   0.156  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.521   1.165   0.661  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.537   2.123   0.953  0.00  0.00    -0.048 A 
ATOM     15  C   LIG    1       -4.938   3.455   1.522  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.176   1.823   0.769  0.00  0.00    +0.031 A 
ATOM     17  N   LIG    1       -3.242  -1.544  -0.523  0.00  0.00    -0.226 NA
ENDBRANCH   2   7
BRANCH   1  18
ATOM     18  N   LIG    1        1.251  -1.164  -0.259  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.933  -0.872   0.664  0.00  0.00    +0.154 HD
BRANCH  18  22
ATOM     20  C   LIG    1        4.283   0.468   0.607  0.00  0.00    +0.191 A 
ATOM     21  N   LIG    1        3.028  -0.009   0.666  0.00  0.00    -0.207 NA
ATOM     22  C   LIG    1        2.570  -0.710  -0.383  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        3.333  -0.906  -1.507  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        4.594  -0.373  -1.461  0.00  0.00    +0.135 A 
ATOM     25 CL   LIG    1        5.663  -0.543  -2.793  0.00  0.00    -0.062 Cl
ATOM     26  N   LIG    1        5.105   0.310  -0.431  0.00  0.00    -0.210 NA
BRANCH  20  28
ATOM     27  C   LIG    1        6.543   1.739   1.541  0.00  0.00    +0.093 C 
ATOM     28  S   LIG    1        4.838   1.378   2.027  0.00  0.00    -0.089 S 
ENDBRANCH  20  28
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4