REMARK  Name = BDB016591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.603  -1.093   1.398  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.008  -0.647   0.051  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1       -1.394  -0.206   0.245  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1       -1.526   0.896   1.213  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1       -0.256   1.218   2.010  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        0.473  -0.031   2.498  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.971  -1.606   1.275  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        1.998  -2.629   1.267  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1        6.263   0.986  -1.349  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        5.181   0.256  -0.714  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1        5.262  -1.125  -0.578  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1        6.201  -1.794  -1.006  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1        4.110  -1.768   0.119  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1        4.132  -3.501   0.227  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1        3.080  -1.067   0.622  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1        3.243   0.399   0.465  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        4.194   1.022  -0.151  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -2.059   0.074  -1.034  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.563   0.182  -0.901  0.00  0.00    -0.031 A 
ATOM     20  C   LIG    1       -4.235   1.352  -1.285  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -5.623   1.438  -1.161  0.00  0.00    +0.043 A 
ATOM     22 CL   LIG    1       -6.429   2.884  -1.632  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -6.361   0.369  -0.662  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -5.699  -0.795  -0.283  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1       -6.598  -2.125   0.337  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -4.312  -0.895  -0.402  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4