REMARK  Name = BDB016577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.026  -0.423  -1.235  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1        1.041  -0.343  -2.253  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.251  -0.091  -0.661  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        3.361   0.235  -1.345  0.00  0.00    +0.129 A 
ATOM      5 CL   LIG    1        3.343   0.277  -3.083  0.00  0.00    -0.076 Cl
ATOM      6  C   LIG    1        4.654   0.581  -0.685  0.00  0.00    +0.287 A 
ATOM      7  O   LIG    1        5.657   0.844  -1.347  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1        4.630   0.588   0.704  0.00  0.00    -0.231 N 
ATOM      9  C   LIG    1        5.838   0.884   1.453  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        3.541   0.221   1.450  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1        2.461  -0.086   0.809  0.00  0.00    +0.157 A 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     12  N   LIG    1       -2.192   0.403   0.684  0.00  0.00    -0.298 NA
ATOM     13  C   LIG    1       -0.834   0.589   0.124  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1       -0.311  -0.622  -0.684  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1       -0.417  -1.935   0.097  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -1.792  -2.082   0.747  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -2.192  -0.817   1.513  0.00  0.00    +0.085 C 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.670   0.308   0.318  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -3.280   0.459  -0.324  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.276   1.789  -1.099  0.00  0.00    +0.024 C 
ENDBRANCH  12  19
ENDBRANCH   1  14
TORSDOF 3