REMARK  Name = BDB053783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.461  -0.075   0.832  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1        0.297   0.480   0.421  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1       -0.834  -0.354   0.276  0.00  0.00    -0.210 N 
ATOM      4  C   LIG    1       -0.767  -1.717   0.581  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -2.018  -2.216   0.313  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -2.798  -1.137  -0.155  0.00  0.00    +0.109 A 
ATOM      7 BR   LIG    1       -2.579  -3.987   0.582  0.00  0.00    -0.044 Br
ATOM      8  N   LIG    1        0.371  -2.299   1.065  0.00  0.00    -0.233 NA
ATOM      9  N   LIG    1       -2.076  -0.006  -0.151  0.00  0.00    -0.163 NA
ATOM     10  C   LIG    1        1.398  -1.515   1.189  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        0.155   1.921   0.123  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        0.053   2.363  -1.202  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.081   3.724  -1.482  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.115   4.651  -0.442  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -0.020   4.220   0.880  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.111   2.859   1.164  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   6  17
ATOM     17  C   LIG    1       -4.194  -1.109  -0.587  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -5.053  -0.110  -0.106  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -6.390  -0.068  -0.509  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.878  -1.018  -1.404  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.029  -2.006  -1.901  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.692  -2.049  -1.499  0.00  0.00    +0.010 A 
ENDBRANCH   6  17
BRANCH   1  24
ATOM     23  O   LIG    1        2.945   1.351   2.387  0.00  0.00    -0.164 OA
ATOM     24  S   LIG    1        2.918   0.825   1.034  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        3.153   1.699  -0.101  0.00  0.00    -0.164 OA
BRANCH  24  26
ATOM     26  C   LIG    1        4.227  -0.387   0.934  0.00  0.00    +0.094 A 
ATOM     27  C   LIG    1        4.559  -0.927  -0.314  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        5.575  -1.877  -0.400  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.261  -2.272   0.751  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.940  -1.713   1.990  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.925  -0.762   2.086  0.00  0.00    +0.027 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 4