REMARK  Name = BDB013189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.610  -0.568   0.180  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -1.066   0.725   0.442  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.268   0.913   0.173  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.517   2.229   0.435  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.571   2.802   0.898  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.105  -0.099  -0.304  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.613  -1.280  -0.560  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.569   1.852   0.910  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.732  -1.478  -0.307  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -4.240   1.079  -0.696  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.114  -0.205   0.043  0.00  0.00    +0.044 A 
ATOM     12  N   LIG    1       -5.181  -0.934   0.530  0.00  0.00    -0.265 N 
ATOM     13  N   LIG    1       -4.801  -2.093   1.116  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1       -3.472  -2.067   1.062  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1       -2.983  -0.918   0.412  0.00  0.00    +0.028 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -6.615  -0.652   0.489  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1       -6.987   0.733   1.018  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1       -7.215  -0.926  -0.890  0.00  0.00    +0.032 C 
ENDBRANCH  12  16
ENDBRANCH   1  15
BRANCH   6  19
ATOM     19  N   LIG    1        2.441   0.140  -0.531  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.796  -0.622  -1.107  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.337   0.299   0.611  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.705   0.668   0.123  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        5.649  -0.280  -0.261  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.598  -1.761  -0.215  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        6.837  -2.080  -1.051  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        7.728  -0.943  -1.024  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        6.906   0.107  -0.709  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        7.282   1.433  -0.802  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        6.344   2.400  -0.443  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        5.075   2.015   0.008  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        4.199   2.971   0.350  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5