REMARK  Name = BDB017059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.582  -0.811  -1.622  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.332  -0.641  -1.089  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.210   0.437  -1.765  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.693   0.898  -2.705  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.751   0.130  -2.595  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.536   1.016  -1.552  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.015   1.800  -2.548  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.233   2.353  -2.387  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.019   2.162  -1.267  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.526   1.354  -0.242  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        2.261   0.774  -0.389  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.308   1.117   0.962  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        5.520   1.647   1.206  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        5.771   1.118   2.413  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        6.629   1.312   2.922  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        4.826   0.315   2.911  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        3.876   0.305   1.988  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.539  -1.844  -1.268  0.00  0.00    +0.157 C 
BRANCH  18  23
ATOM     19 CL   LIG    1       -5.177  -0.672   4.029  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -4.426  -1.007   2.517  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -3.449  -1.996   2.433  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.839  -2.269   1.206  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.204  -1.554   0.055  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1       -4.189  -0.558   0.157  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -4.797  -0.286   1.385  0.00  0.00    +0.020 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4