REMARK  Name = BDB016594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.331  -0.064  -0.237  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1        0.964  -0.880  -0.513  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1        2.147  -0.192   0.014  0.00  0.00    -0.295 NA
ATOM      4  C   LIG    1        2.110  -0.126   1.489  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1        0.690  -0.041   2.071  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1       -0.267   0.664   1.118  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.484  -0.972  -0.271  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1       -1.372  -1.785   0.340  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1       -6.781   0.893  -0.963  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1       -5.448   0.369  -0.726  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1       -5.287  -0.861  -0.096  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1       -6.228  -1.540   0.313  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1       -3.877  -1.316   0.069  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1       -3.630  -2.807   0.924  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1       -2.829  -0.615  -0.392  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -3.222   0.624  -1.111  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1       -4.417   1.091  -1.269  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1        3.386  -0.836  -0.463  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.587  -0.013  -0.110  0.00  0.00    +0.073 A 
ATOM     20  N   LIG    1        5.453  -0.412   0.889  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1        6.375   0.520   0.948  0.00  0.00    +0.196 A 
ATOM     22  N   LIG    1        6.149   1.507   0.032  0.00  0.00    -0.351 N 
ATOM     23  H   LIG    1        6.721   2.329  -0.106  0.00  0.00    +0.166 HD
ATOM     24  C   LIG    1        5.014   1.182  -0.654  0.00  0.00    +0.108 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4