REMARK  Name = BDB045755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.277   3.194  -0.136  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        0.694   2.117  -0.084  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        1.437   0.832  -0.079  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.732  -0.389  -0.018  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1        1.498  -1.569  -0.016  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.898  -1.531  -0.072  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        3.561  -0.309  -0.131  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1        5.278  -0.271  -0.199  0.00  0.00    -0.084 Cl
ATOM      9  C   LIG    1       -0.747  -0.371   0.039  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.414   0.870   0.032  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -2.808   0.960   0.084  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.565  -0.204   0.145  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.941  -1.447   0.154  0.00  0.00    +0.021 A 
ATOM     14 CL   LIG    1       -5.281  -0.108   0.209  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1       -1.544  -1.528   0.102  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.838   0.876  -0.134  0.00  0.00    +0.034 A 
ATOM     17  N   LIG    1       -0.675   2.057  -0.029  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -1.146   2.954  -0.035  0.00  0.00    +0.169 HD
ENDROOT
TORSDOF 0