REMARK  Name = BDB049762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.934   0.009   0.423  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.348   0.091  -0.846  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.044   0.159  -1.004  0.00  0.00    +0.052 A 
ATOM      4 CL   LIG    1        1.652   0.177  -2.625  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        1.887   0.188   0.117  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        1.300   0.125   1.390  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.089   0.055   1.539  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        3.347   0.262   0.038  0.00  0.00    +0.111 A 
ATOM      9  S   LIG    1        4.112   1.676  -0.573  0.00  0.00    -0.067 S 
ATOM     10  C   LIG    1        5.654   0.979  -0.261  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        5.475  -0.275   0.324  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        6.614  -1.028   0.675  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        7.891  -0.514   0.431  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        8.046   0.739  -0.155  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.932   1.507  -0.510  0.00  0.00    +0.017 A 
ATOM     16  N   LIG    1        4.158  -0.660   0.512  0.00  0.00    -0.239 NA
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  N   LIG    1       -2.333   0.004   0.621  0.00  0.00    -0.299 N 
ATOM     18  H   LIG    1       -2.574  -0.247   1.575  0.00  0.00    +0.154 HD
BRANCH  17  24
ATOM     19 CL   LIG    1       -9.083   0.734   0.535  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -7.405   0.406   0.342  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -6.976  -0.435  -0.683  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -5.630  -0.719  -0.868  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -4.688  -0.152   0.004  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -3.343  -0.497  -0.247  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1       -2.993  -1.296  -1.270  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -3.982  -1.770  -2.033  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -5.131   0.711   1.039  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1       -5.287  -1.525  -1.875  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -6.487   0.986   1.206  0.00  0.00    +0.021 A 
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 3