REMARK  Name = BDB034677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.919   0.923  -0.439  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.547   0.958  -0.154  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.296   2.106   0.596  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.971   2.419   1.034  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.003   1.532   0.698  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.767   0.362  -0.063  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.511   2.775   0.783  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.685   3.985   1.532  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.459   0.074  -0.490  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.543   2.039   0.162  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.734   2.304   0.154  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.784  -0.565  -0.373  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.675  -0.975  -1.300  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.058  -0.797   0.192  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        5.126  -1.244  -0.608  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        4.873  -1.537  -2.297  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        6.364  -1.437  -0.001  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        7.760  -1.975  -0.855  0.00  0.00    -0.060 Cl
ATOM     19  N   LIG    1        6.611  -1.227   1.314  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        5.572  -0.811   2.061  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        4.302  -0.585   1.554  0.00  0.00    +0.044 A 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  22
ATOM     22  C   LIG    1       -2.611  -0.137  -1.133  0.00  0.00    +0.129 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.033  -1.255  -0.179  0.00  0.00    +0.053 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.007  -2.072  -1.577  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.706  -2.438  -0.876  0.00  0.00    +0.113 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -2.799  -2.995  -1.825  0.00  0.00    -0.392 OA
ATOM     27  H   LIG    1       -3.229  -3.778  -2.214  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6