REMARK  Name = BDB028304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.052   0.707   0.837  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.346   0.126  -0.333  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -4.130  -0.342  -1.382  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.535  -0.900  -2.516  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.143  -0.990  -2.598  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.327  -0.525  -1.553  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -5.596  -0.242  -1.286  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -6.322  -0.642  -2.188  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -6.087   0.322  -0.135  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -7.097   0.399  -0.051  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.949   0.033  -0.419  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.350   0.789   0.908  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.138  -0.620  -1.641  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.902  -1.216  -0.626  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.294  -1.292  -0.729  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        2.879  -0.771  -1.877  0.00  0.00    +0.125 A 
ATOM     17  N   LIG    1        2.188  -0.184  -2.882  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        0.844  -0.123  -2.738  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  S   LIG    1        3.235  -2.072   0.563  0.00  0.00    -0.088 S 
BRANCH  19  20
ATOM     20  C   LIG    1        4.494  -0.855   0.898  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        5.842  -1.207   0.760  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        6.846  -0.270   1.024  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        6.502   1.017   1.431  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        7.737   2.169   1.756  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        5.164   1.375   1.581  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        4.161   0.438   1.318  0.00  0.00    +0.016 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -3.212   1.231   2.007  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.066   1.761   3.076  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -4.676   2.470   2.661  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -4.724   1.023   3.340  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5