REMARK  Name = BDB048285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.726  -3.072   0.592  0.00  0.00    -0.246 OA
ATOM      2  C   LIG    1       -1.378  -2.074   0.322  0.00  0.00    +0.334 A 
ATOM      3  N   LIG    1       -0.912  -0.764   0.083  0.00  0.00    -0.230 N 
ATOM      4  C   LIG    1       -1.999   0.075  -0.192  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -3.151  -0.719  -0.124  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -4.415  -0.219  -0.342  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -4.508   1.144  -0.641  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -3.351   1.949  -0.711  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1       -3.519   3.623  -1.084  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -2.077   1.420  -0.486  0.00  0.00    +0.048 A 
ATOM     11  N   LIG    1       -2.778  -2.024   0.188  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -3.384  -2.820   0.304  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        0.404  -0.387   0.118  0.00  0.00    +0.218 A 
ATOM     14  N   LIG    1        1.403  -1.291   0.399  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        1.245  -2.271   0.595  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        2.607  -0.641   0.366  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1        2.272   0.671   0.057  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1        3.291   1.629  -0.058  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        4.617   1.225   0.145  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.922  -0.103   0.455  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.919  -1.072   0.574  0.00  0.00    +0.028 A 
ATOM     22  N   LIG    1        0.914   0.810  -0.093  0.00  0.00    -0.212 NA
ENDBRANCH   3  13
TORSDOF 1