REMARK  Name = BDB011602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.454  -1.070  -1.633  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.534  -0.391  -0.865  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.772  -0.252   0.111  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.198  -1.619  -2.698  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.776  -0.102  -1.133  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.652   0.333  -0.003  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -1.265   0.360   1.157  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -2.916   0.602  -0.525  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -2.892   0.262  -1.911  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -3.657   1.164  -2.777  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -1.565  -0.098  -2.221  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -1.158  -0.358  -3.638  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.135   0.336   0.243  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.218  -1.114   0.739  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -5.568  -1.413   1.396  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -6.196  -0.202   2.086  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -5.144   0.791   2.561  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -4.311   1.340   1.400  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        3.047   0.983   0.470  0.00  0.00    +0.068 C 
ATOM     20  C   LIG    1        3.482  -0.259  -0.218  0.00  0.00    +0.074 A 
ATOM     21  N   LIG    1        4.751  -0.820  -0.118  0.00  0.00    -0.215 N 
ATOM     22  N   LIG    1        4.726  -2.077  -0.615  0.00  0.00    -0.060 NA
ATOM     23  N   LIG    1        3.597  -2.235  -1.282  0.00  0.00    -0.124 NA
ATOM     24  C   LIG    1        2.797  -1.146  -1.048  0.00  0.00    +0.170 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.947  -0.325   0.456  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1        6.423   0.975   0.236  0.00  0.00    +0.068 A 
ATOM     27 CL   LIG    1        5.741   2.066  -0.921  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        7.601   1.400   0.864  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        8.316   0.525   1.679  0.00  0.00    +0.042 A 
ATOM     30 CL   LIG    1        9.762   1.057   2.441  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        7.881  -0.785   1.859  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        6.706  -1.215   1.239  0.00  0.00    +0.031 A 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4