REMARK  Name = BDB017057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.455  -0.183   1.379  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.435   0.686   1.112  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -0.600  -0.099   0.647  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.225  -1.428   0.647  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        1.011  -1.443   1.095  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.906   0.388   0.221  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -2.118   1.728   0.292  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -3.325   2.184  -0.101  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1       -4.342   1.369  -0.565  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -4.114  -0.007  -0.634  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -2.871  -0.503  -0.232  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.157  -0.901  -1.115  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1       -5.038  -2.236  -1.218  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1       -6.249  -2.548  -1.698  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1       -6.521  -3.505  -1.903  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1       -7.086  -1.523  -1.894  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1       -6.395  -0.455  -1.523  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1        2.755   0.163   1.928  0.00  0.00    +0.159 C 
BRANCH  18  21
ATOM     19 CL   LIG    1        4.752  -2.218   1.397  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        4.716  -0.720   0.537  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.796   0.296   0.844  0.00  0.00    -0.009 A 
ATOM     22  C   LIG    1        3.839   1.482   0.086  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.773   1.650  -0.937  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.680   0.635  -1.225  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.651  -0.548  -0.489  0.00  0.00    +0.020 A 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4