REMARK  Name = BDB004062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.308  -0.442   0.145  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -1.159  -0.278  -0.536  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.002  -0.263   0.149  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        0.065  -0.418   1.476  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -1.092  -0.610   2.128  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -2.314  -0.633   1.506  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -3.465  -0.455  -0.633  0.00  0.00    -0.298 N 
ATOM      8  H   LIG    1       -3.218  -0.434  -1.619  0.00  0.00    +0.154 HD
BRANCH   7  11
ATOM      9 CL   LIG    1       -5.362  -1.389  -2.769  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1       -5.803  -0.546  -1.321  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.816  -0.130  -0.400  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -5.250   0.553   0.744  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -6.608   0.814   0.963  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -7.562   0.391   0.043  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.160  -0.288  -1.103  0.00  0.00    +0.022 A 
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  16
ATOM     16  N   LIG    1        1.135  -0.072  -0.632  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        0.851   0.015  -1.596  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.502   0.014  -0.356  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        3.049  -0.080   0.924  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.433   0.015   1.133  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        5.317   0.206   0.066  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        4.777   0.301  -1.221  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        3.392   0.206  -1.423  0.00  0.00    +0.024 A 
BRANCH  21  24
ATOM     24  C   LIG    1        6.752   0.298   0.330  0.00  0.00    +0.179 A 
ATOM     25  N   LIG    1        7.734   0.452  -0.611  0.00  0.00    -0.239 N 
ATOM     26  H   LIG    1        7.664   0.527  -1.616  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1        8.940   0.500  -0.034  0.00  0.00    -0.046 NA
ATOM     28  N   LIG    1        8.703   0.375   1.262  0.00  0.00    -0.023 NA
ATOM     29  N   LIG    1        7.357   0.248   1.504  0.00  0.00    -0.108 NA
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5