REMARK  Name = BDB003489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.305  -0.095   1.391  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.185  -0.990   3.462  0.00  0.00    +0.176 C 
ATOM      3  N   LIG    1       -0.186  -0.580   2.170  0.00  0.00    -0.299 N 
ATOM      4  C   LIG    1        1.148  -0.804   1.621  0.00  0.00    +0.098 C 
ATOM      5  C   LIG    1        1.947  -0.995   2.928  0.00  0.00    +0.167 C 
ATOM      6  N   LIG    1        0.956  -1.307   3.999  0.00  0.00    -0.254 NA
BRANCH   2   7
ATOM      7  N   LIG    1       -1.351  -1.084   4.129  0.00  0.00    -0.331 N 
ATOM      8  H   LIG    1       -1.198  -1.529   5.029  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1       -2.064  -1.572   3.610  0.00  0.00    +0.145 HD
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1        1.637   0.327   0.711  0.00  0.00    +0.028 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.055   0.132   0.135  0.00  0.00    -0.009 C 
ATOM     12  C   LIG    1        3.206   0.915  -1.178  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1        4.557   0.661  -1.854  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1        5.695   0.386  -0.872  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1        5.445   1.050   0.473  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        4.160   0.540   1.132  0.00  0.00    +0.003 C 
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -1.824  -1.161   0.424  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.930  -0.631  -0.461  0.00  0.00    -0.045 A 
ATOM     19  C   LIG    1       -2.715  -0.449  -1.834  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -3.717   0.080  -2.662  0.00  0.00    +0.056 A 
ATOM     21  C   LIG    1       -4.946   0.443  -2.092  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -5.186   0.267  -0.720  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -4.175  -0.286   0.082  0.00  0.00    +0.016 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -3.450   0.286  -4.136  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1       -4.583   0.470  -4.870  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -2.668   1.375  -4.369  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.804  -0.768  -4.708  0.00  0.00    -0.166 F 
ENDBRANCH  20  24
BRANCH  22  28
ATOM     28  C   LIG    1       -6.512   0.650  -0.100  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1       -7.256   1.472  -0.887  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -6.364   1.304   1.087  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -7.296  -0.433   0.164  0.00  0.00    -0.166 F 
ENDBRANCH  22  28
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8