REMARK  Name = BDB017086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.434   0.120  -1.781  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.227  -0.176  -1.208  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -0.541   0.964  -1.361  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.185   1.926  -2.037  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        1.357   1.387  -2.280  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.918   1.149  -0.904  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -2.596   2.189  -1.451  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -3.867   2.394  -1.054  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1       -4.517   1.604  -0.125  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -3.819   0.535   0.438  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -2.496   0.307   0.039  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -4.457  -0.325   1.423  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1       -3.869  -1.381   2.014  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1       -4.869  -1.797   2.804  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1       -4.777  -2.602   3.418  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1       -6.003  -1.091   2.740  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1       -5.751  -0.139   1.854  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1        2.579  -0.768  -1.900  0.00  0.00    +0.159 C 
BRANCH  18  23
ATOM     19 CL   LIG    1        4.127  -2.684   2.823  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1        4.176  -1.554   1.513  0.00  0.00    +0.060 A 
ATOM     21  C   LIG    1        3.354  -1.675   0.377  0.00  0.00    +0.064 A 
ATOM     22 CL   LIG    1        2.242  -3.002   0.250  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        3.442  -0.723  -0.660  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1        4.360   0.339  -0.524  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        5.171   0.452   0.604  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.079  -0.493   1.621  0.00  0.00    +0.021 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4