REMARK  Name = BDB012645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.875  -0.610  -1.546  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.174   0.018  -0.928  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.144  -0.957  -0.784  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.695  -2.149  -1.316  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.513  -1.906  -1.768  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.458  -0.775  -0.173  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        3.459  -1.546  -0.681  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1        4.717  -1.449  -0.171  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        4.979  -0.559   0.867  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        3.937   0.212   1.362  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.534   0.942   2.351  0.00  0.00    -0.257 N 
ATOM     12  H   LIG    1        4.131   1.629   2.975  0.00  0.00    +0.191 HD
ATOM     13  N   LIG    1        5.843   0.661   2.458  0.00  0.00    -0.067 NA
ATOM     14  N   LIG    1        6.128  -0.264   1.550  0.00  0.00    -0.128 NA
ATOM     15  C   LIG    1        2.637   0.141   0.867  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -2.130  -0.001  -1.953  0.00  0.00    +0.157 C 
BRANCH  16  21
ATOM     17 CL   LIG    1       -5.482   1.611   2.796  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -4.529   1.149   1.441  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -3.989   2.127   0.609  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.213   1.754  -0.490  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.971   0.399  -0.765  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1       -3.525  -0.575   0.082  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.300  -0.200   1.182  0.00  0.00    +0.020 A 
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 3