REMARK  Name = BDB053818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.317   0.070   0.027  0.00  0.00    -0.181 N 
ATOM      2  C   LIG    1        0.671   0.259  -1.190  0.00  0.00    +0.219 A 
ATOM      3  N   LIG    1       -0.623   0.205  -1.002  0.00  0.00    -0.180 NA
ATOM      4  C   LIG    1       -0.760   0.019   0.342  0.00  0.00    +0.241 A 
ATOM      5  N   LIG    1        0.391  -0.067   1.013  0.00  0.00    -0.126 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        5.428  -0.179   0.782  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        4.912  -0.023  -0.495  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1        3.587   0.060  -0.773  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1        2.720  -0.010   0.280  0.00  0.00    +0.158 A 
ATOM     10  C   LIG    1        3.158  -0.171   1.595  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        4.530  -0.255   1.845  0.00  0.00    +0.024 A 
BRANCH   6  13
ATOM     12  N   LIG    1        7.985  -0.325   1.155  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1        6.838  -0.259   0.991  0.00  0.00    +0.101 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  N   LIG    1        1.296   0.462  -2.368  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1        0.767   0.282  -3.214  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1        2.291   0.242  -2.430  0.00  0.00    +0.145 HD
ENDBRANCH   2  14
BRANCH   4  17
ATOM     17  N   LIG    1       -1.957  -0.081   0.943  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -1.915  -0.232   1.946  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.291  -0.007   0.481  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1       -4.355  -0.189   1.392  0.00  0.00    +0.062 A 
ATOM     21 CL   LIG    1       -4.036  -0.494   3.069  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -5.691  -0.131   0.983  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -5.995   0.111  -0.353  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.965   0.293  -1.271  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.628   0.233  -0.857  0.00  0.00    +0.025 A 
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5