REMARK  Name = BDB043213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.969  -0.451   0.086  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        2.212   0.828  -0.242  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.161   1.630  -0.457  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -0.109   1.225  -0.356  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -0.360  -0.048  -0.012  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.683  -0.926   0.203  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.684  -0.468   0.078  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.061  -1.455   1.105  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.381  -1.070   1.817  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.532  -0.776   0.939  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.362  -1.957   0.716  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.094  -0.196  -0.352  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.719   0.505  -0.299  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1        3.112  -1.228   0.289  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        3.918  -0.637   0.126  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1        5.364  -5.461   1.475  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1        4.413  -4.369   1.180  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1        3.060  -4.529   1.266  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        2.544  -5.363   1.524  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        2.365  -3.424   0.963  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1        3.293  -2.511   0.662  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1        4.594  -3.061   0.789  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1        1.490   2.937  -0.803  0.00  0.00    -0.282 N 
ATOM     24  H   LIG    1        2.497   3.033  -0.844  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        0.759   4.099  -1.087  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1        1.439   5.282  -1.450  0.00  0.00    +0.062 A 
ATOM     27 CL   LIG    1        3.170   5.311  -1.541  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        0.751   6.464  -1.747  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -0.639   6.490  -1.687  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -1.333   5.337  -1.331  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -0.639   4.157  -1.036  0.00  0.00    +0.025 A 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 5