REMARK  Name = BDB027716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.657   0.739   0.235  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.410   2.118   0.374  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.929   2.506   0.294  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.182   3.863   0.432  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.252   4.835   0.628  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.028   4.430   0.684  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.930   1.639   0.088  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -1.590   0.348  -0.024  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1        1.406   3.106   0.564  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.339  -0.131   0.024  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.667  -0.599  -0.292  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -2.981  -1.659   0.566  0.00  0.00    +0.070 A 
ATOM     13 CL   LIG    1       -2.182  -1.926   2.072  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1       -4.017  -2.515   0.209  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1       -4.756  -2.393  -0.919  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1       -4.451  -1.359  -1.727  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -3.437  -0.453  -1.460  0.00  0.00    +0.033 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1        1.981   0.279   0.303  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        2.378   0.590   1.187  0.00  0.00    +0.148 HD
BRANCH  18  21
ATOM     20  C   LIG    1        1.963  -1.540  -1.404  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        2.356  -1.120   0.020  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        3.898  -1.169   0.110  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1        1.792  -2.087   1.069  0.00  0.00    +0.031 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3