REMARK  Name = BDB014773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.029   4.691  -0.346  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.880   3.534   0.115  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.231   2.331   0.368  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.760   2.238   0.482  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.307   0.827   0.381  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.004   0.262   0.311  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.078  -1.071   0.235  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.393  -1.360   0.236  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.168  -0.249   0.347  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.646  -0.153   0.387  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.030   1.231   0.950  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.096   3.678   0.241  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.115   1.029   0.334  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.007   2.030   0.407  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.486   0.692   0.254  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.438   1.721   0.342  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.812   1.453   0.276  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.286   0.144   0.123  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        3.337  -0.883   0.037  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.962  -0.612   0.102  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.728  -0.143   0.056  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1        6.316  -1.095   0.903  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        7.681  -1.355   0.831  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1        8.222  -2.266   1.652  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        8.494  -0.687  -0.075  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        7.932   0.260  -0.926  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.560   0.529  -0.859  0.00  0.00    +0.009 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -2.822  -2.749   0.138  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.189  -3.125  -1.269  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -3.113  -4.564  -1.714  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -2.130  -3.560  -2.249  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5