REMARK  Name = BDB061861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.871  -0.282  -0.178  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.476  -0.302  -0.018  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.284  -1.451  -0.293  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.388  -2.604  -0.719  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -0.332  -3.778  -0.960  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        0.140  -4.622  -1.254  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -1.682  -3.878  -0.790  0.00  0.00    +0.251 A 
ATOM      8  C   LIG    1       -2.393  -2.656  -0.359  0.00  0.00    +0.093 A 
ATOM      9  O   LIG    1       -2.291  -4.923  -0.991  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        1.771  -2.606  -0.892  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -1.760  -1.492  -0.130  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        2.504  -1.446  -0.628  0.00  0.00    +0.025 A 
ENDROOT
BRANCH  11  13
ATOM     13  N   LIG    1       -2.416  -0.312   0.245  0.00  0.00    -0.329 N 
ATOM     14  C   LIG    1       -3.252  -0.288   1.464  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1       -4.678   0.148   1.151  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -4.715   1.553   0.550  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -3.443   1.889  -0.227  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -2.805   0.639  -0.819  0.00  0.00    +0.105 C 
ENDBRANCH  11  13
BRANCH   1  19
ATOM     19  N   LIG    1        2.562   0.920   0.073  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        2.096   1.499   0.770  0.00  0.00    +0.152 HD
BRANCH  19  27
ATOM     21  C   LIG    1        4.595   2.275   0.354  0.00  0.00    +0.110 A 
ATOM     22  C   LIG    1        5.806   2.695  -0.180  0.00  0.00    +0.148 A 
ATOM     23 CL   LIG    1        6.894   3.739   0.655  0.00  0.00    -0.061 Cl
ATOM     24  N   LIG    1        6.269   2.339  -1.400  0.00  0.00    -0.242 NA
ATOM     25  C   LIG    1        5.484   1.524  -2.127  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1        4.261   1.045  -1.685  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1        3.787   1.422  -0.422  0.00  0.00    +0.053 A 
BRANCH  21  29
ATOM     28  N   LIG    1        3.795   3.031   2.696  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1        4.184   2.699   1.654  0.00  0.00    +0.104 C 
ENDBRANCH  21  29
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 4