REMARK  Name = BDB013686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.067   0.192   1.106  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        0.989  -0.550   1.790  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.732  -0.107  -0.070  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        2.760  -1.181  -0.072  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.323  -1.540  -1.291  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        4.278  -2.564  -1.357  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.679  -3.220  -0.194  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.136  -2.848   1.034  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.929  -0.819  -2.512  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        3.394  -1.167  -3.594  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        2.046   0.239  -2.341  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        1.598   0.999  -3.493  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        3.181  -1.829   1.099  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        1.436   0.551  -1.156  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.076   1.107   1.141  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.387   0.495   0.546  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.507   1.537   0.387  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1       -3.417   1.390  -0.678  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -4.461   2.299  -0.865  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.614   3.363   0.017  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -5.899   4.485  -0.207  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -3.736   3.521   1.086  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.691   2.611   1.274  0.00  0.00    +0.006 A 
ENDBRANCH  16  17
BRANCH  16  25
ATOM     24  C   LIG    1       -1.969  -0.665   2.666  0.00  0.00    +0.105 C 
ATOM     25  N   LIG    1       -1.948  -0.711   1.211  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1       -1.389  -1.961   0.712  0.00  0.00    +0.105 C 
ENDBRANCH  16  25
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5