REMARK  Name = BDB060559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.766  -4.039   2.259  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -2.614  -3.333   1.265  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1       -2.261  -2.212   0.515  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -0.965  -1.668   0.281  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -0.705  -0.305   0.022  0.00  0.00    +0.059 A 
ATOM      6  N   LIG    1       -1.615   0.779   0.001  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1       -3.072   0.619   0.163  0.00  0.00    +0.122 C 
ATOM      8  C   LIG    1       -3.682  -0.489  -0.688  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -3.260  -0.503  -2.153  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.653   0.026  -0.277  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1        1.718  -0.890  -0.294  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1        1.414  -2.219  -0.028  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        0.099  -2.601   0.239  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -3.465  -1.780  -0.001  0.00  0.00    +0.142 A 
ATOM     15  N   LIG    1       -4.413  -2.653   0.265  0.00  0.00    -0.134 NA
ATOM     16  N   LIG    1       -3.880  -3.626   1.052  0.00  0.00    -0.134 NA
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1       -1.261   2.103   0.421  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -1.545   3.202  -0.405  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -1.203   4.497  -0.009  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -0.573   4.701   1.217  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -0.149   6.295   1.704  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -0.282   3.623   2.050  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -0.625   2.328   1.653  0.00  0.00    +0.025 A 
ENDBRANCH   6  17
BRANCH  11  24
ATOM     24  C   LIG    1        3.091  -0.463  -0.599  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.173  -0.814   0.209  0.00  0.00    +0.121 A 
ATOM     26  N   LIG    1        5.462  -0.458  -0.016  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        5.709   0.293  -1.099  0.00  0.00    +0.116 A 
ATOM     28  C   LIG    1        4.713   0.695  -1.975  0.00  0.00    +0.044 A 
ATOM     29  C   LIG    1        3.395   0.316  -1.720  0.00  0.00    +0.013 A 
BRANCH  27  30
ATOM     30  N   LIG    1        7.038   0.632  -1.332  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        7.575   0.271  -0.548  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        7.154   1.633  -1.438  0.00  0.00    +0.144 HD
ENDBRANCH  27  30
ENDBRANCH  11  24
TORSDOF 3