REMARK  Name = BDB016592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.759  -0.323   0.044  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1        0.658  -1.275   0.592  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1       -0.531  -1.255  -0.265  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1       -0.248  -1.818  -1.594  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1        1.191  -1.573  -2.075  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        1.766  -0.286  -1.496  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        3.066  -0.764   0.545  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        3.250  -1.754   0.371  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1        7.592   2.632   0.588  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        6.477   1.703   0.545  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1        6.713   0.332   0.538  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1        7.841  -0.160   0.532  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1        5.495  -0.528   0.525  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1        5.749  -2.243   0.430  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1        4.251  -0.025   0.561  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1        4.219   1.457   0.657  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        5.229   2.263   0.647  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -1.679  -1.903   0.398  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.014  -1.663  -0.288  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1       -3.807  -0.527  -0.007  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -5.034  -0.384  -0.679  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.479  -1.338  -1.596  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.703  -2.459  -1.861  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.481  -2.621  -1.211  0.00  0.00    +0.007 A 
BRANCH  20  25
ATOM     25  N   LIG    1       -3.357   0.438   0.912  0.00  0.00    -0.325 N 
ATOM     26  C   LIG    1       -2.661   1.558   0.236  0.00  0.00    +0.133 C 
ATOM     27  C   LIG    1       -2.412   2.688   1.245  0.00  0.00    +0.178 C 
ATOM     28  O   LIG    1       -3.619   3.254   1.782  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -4.727   2.340   1.772  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1       -4.316   0.870   1.953  0.00  0.00    +0.133 C 
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5