REMARK  Name = BDB051199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.941  -1.285   0.027  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        1.387  -2.598  -0.212  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.530  -3.387  -0.990  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.905  -4.694  -1.278  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.102  -5.242  -0.808  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.950  -4.472  -0.025  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.632  -2.941  -1.471  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -0.976  -1.683  -1.172  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1        2.598  -3.158   0.275  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.246  -0.850  -0.424  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.768  -0.389   0.763  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        2.713  -0.428   0.393  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -0.674   3.458   2.817  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        0.317   2.525   2.233  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1        1.597   2.893   2.104  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1        2.184   1.819   1.548  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1        3.175   1.868   1.353  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1        1.329   0.775   1.310  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        0.103   1.210   1.761  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1       -2.522  -1.096  -1.837  0.00  0.00    -0.048 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.423   0.662  -1.485  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -1.550   1.553  -2.144  0.00  0.00    +0.073 A 
ATOM     23 CL   LIG    1       -0.519   0.998  -3.430  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -1.531   2.905  -1.763  0.00  0.00    +0.060 A 
ATOM     25 CL   LIG    1       -0.482   4.067  -2.502  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -2.381   3.370  -0.754  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -3.259   2.496  -0.119  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -3.279   1.151  -0.483  0.00  0.00    +0.017 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4