REMARK  Name = BDB031339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.641   1.721   0.042  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.398   0.528   0.213  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.103   0.083   0.463  0.00  0.00    -0.283 N 
ATOM      4  C   LIG    1        0.253  -1.172   1.125  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1        1.604  -1.742   0.632  0.00  0.00    +0.104 C 
ATOM      6  N   LIG    1        2.615  -0.743   0.235  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        2.343   0.563   0.854  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1        0.955   1.097   0.445  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -2.340  -0.473   0.155  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1       -1.983  -1.367  -0.139  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.743  -0.319   0.101  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -4.392   0.884   0.406  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -5.767   0.890   0.331  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1       -6.501  -0.239  -0.021  0.00  0.00    +0.067 A 
ATOM     15  N   LIG    1       -7.848   0.101   0.000  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1       -8.635  -0.491  -0.209  0.00  0.00    +0.170 HD
ATOM     17  C   LIG    1       -7.967   1.451   0.366  0.00  0.00    +0.325 A 
ATOM     18  O   LIG    1       -9.001   2.082   0.484  0.00  0.00    -0.247 OA
ATOM     19  C   LIG    1       -5.900  -1.436  -0.317  0.00  0.00    +0.029 A 
ATOM     20  N   LIG    1       -6.664   1.926   0.571  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1       -6.442   2.872   0.837  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -4.500  -1.468  -0.249  0.00  0.00    +0.025 A 
ENDBRANCH   9  11
BRANCH   6  23
ATOM     23  C   LIG    1        3.976  -1.230   0.491  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.048  -0.409  -0.196  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        6.108   0.139   0.541  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        7.103   0.884  -0.097  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        7.046   1.082  -1.475  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        8.272   2.000  -2.258  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        6.003   0.540  -2.222  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.009  -0.205  -1.585  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 3