REMARK  Name = BDB019812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.013   1.650   1.839  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.897   1.581   0.634  0.00  0.00    -0.032 A 
ATOM      3  C   LIG    1        1.980   0.686   0.612  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        2.833   0.590  -0.502  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        2.571   1.420  -1.604  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.496   2.311  -1.596  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.662   2.391  -0.483  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  C   LIG    1        3.961  -0.356  -0.514  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        3.768  -1.716  -0.221  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        4.842  -2.607  -0.235  0.00  0.00    +0.042 A 
ATOM     11 CL   LIG    1        4.576  -4.270   0.125  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        6.126  -2.165  -0.539  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        6.338  -0.820  -0.832  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        5.264   0.075  -0.819  0.00  0.00    +0.008 A 
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  N   LIG    1       -0.792   0.412   2.046  0.00  0.00    -0.233 NA
ATOM     16  H   LIG    1       -1.381   0.548   2.880  0.00  0.00    +0.143 HD
BRANCH  15  17
ATOM     17  N   LIG    1       -1.665   0.085   0.956  0.00  0.00    -0.125 NA
ATOM     18  H   LIG    1       -1.185   0.176   0.050  0.00  0.00    +0.168 HD
BRANCH  17  20
ATOM     19  O   LIG    1       -2.881   2.099  -0.024  0.00  0.00    -0.152 OA
ATOM     20  S   LIG    1       -3.076   1.077   0.983  0.00  0.00    +0.071 S 
ATOM     21  O   LIG    1       -3.366   1.413   2.363  0.00  0.00    -0.152 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -4.307  -0.064   0.420  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1       -4.870   0.084  -0.851  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -5.848  -0.816  -1.274  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -6.261  -1.850  -0.430  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.700  -1.987   0.841  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.723  -1.091   1.272  0.00  0.00    +0.028 A 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 6