REMARK  Name = BDB006854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.926   0.551   0.078  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -2.082  -0.225   0.022  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1       -3.382   0.258  -0.227  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -4.290  -0.795  -0.205  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -5.623  -0.539  -0.428  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -6.083   0.705  -0.668  0.00  0.00    -0.243 NA
ATOM      7  C   LIG    1       -5.167   1.706  -0.680  0.00  0.00    +0.131 A 
ATOM      8 CL   LIG    1       -5.829   3.259  -0.991  0.00  0.00    -0.062 Cl
ATOM      9  C   LIG    1       -3.628  -2.100   0.067  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1       -3.809   1.547  -0.467  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -2.160  -1.682   0.232  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1       -0.926   1.770  -0.099  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.367  -0.247   0.370  0.00  0.00    +0.181 C 
BRANCH  13  20
ATOM     14  C   LIG    1        5.176  -0.192   1.559  0.00  0.00    +0.025 C 
ATOM     15  C   LIG    1        4.069   0.523   0.785  0.00  0.00    +0.065 C 
ATOM     16  N   LIG    1        4.402   0.532  -0.653  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1        4.979  -0.269  -0.900  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        3.198   0.537  -1.497  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1        1.960   1.191  -0.845  0.00  0.00    +0.100 C 
ATOM     20  N   LIG    1        1.570   0.602   0.453  0.00  0.00    -0.291 NA
ATOM     21  C   LIG    1        2.689  -0.120   1.085  0.00  0.00    +0.103 C 
ENDBRANCH  13  20
ENDBRANCH   1  13
TORSDOF 2