REMARK  Name = BDB013047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.496   0.290   0.310  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.297  -0.578   1.058  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.653  -0.693   0.874  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        3.122  -1.607   1.699  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.071  -2.071   2.460  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.250   0.147  -0.108  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        2.406   0.966  -0.777  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.990  -1.426   2.081  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.041   1.069  -0.585  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.694   0.148  -0.447  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1        5.411   1.339  -0.608  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        6.760   1.269  -0.919  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1        7.436   0.113  -1.074  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        6.736  -1.026  -0.893  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.385  -1.060  -0.583  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.863   0.352   0.523  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.205   1.206   0.085  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.701  -0.755   0.072  0.00  0.00    +0.143 C 
BRANCH  18  21
ATOM     19  F   LIG    1       -2.732  -1.827   2.467  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -3.563  -1.072   1.734  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1       -3.112  -0.528   0.523  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.016   0.252  -0.192  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.841   1.023  -1.447  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.304   1.349  -1.748  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.064   1.278  -0.520  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.302   0.473   0.288  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.747  -0.056   1.482  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.860  -0.846   2.213  0.00  0.00    +0.042 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4