REMARK  Name = BDB063243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868   0.293  -0.061  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1       -0.360  -0.190   0.194  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.405   0.472  -0.361  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1       -1.223   1.539  -1.205  0.00  0.00    +0.181 A 
ATOM      5  N   LIG    1        0.011   2.000  -1.447  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1        1.065   1.367  -0.854  0.00  0.00    -0.113 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.712  -0.031  -0.155  0.00  0.00    -0.279 N 
ATOM      8  C   LIG    1       -3.043  -1.383  -0.173  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1       -4.434  -1.400  -0.171  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -5.119  -2.622  -0.251  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.381  -3.808  -0.333  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.988  -3.777  -0.343  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1       -4.941  -0.137  -0.072  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1       -2.290  -2.566  -0.271  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.899   0.664   0.042  0.00  0.00    +0.119 A 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.179   2.099   0.613  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -3.218   3.238   0.747  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -4.264   3.266  -0.333  0.00  0.00    +0.012 C 
ENDBRANCH  15  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1        1.911  -0.396   0.555  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        1.528  -1.141   1.118  0.00  0.00    +0.155 HD
BRANCH  19  24
ATOM     21  C   LIG    1        6.134  -0.033   0.690  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        5.460  -1.031   1.403  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        4.065  -1.127   1.342  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        3.300  -0.239   0.569  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        3.984   0.747  -0.147  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        5.381   0.850  -0.092  0.00  0.00    +0.014 A 
BRANCH  21  28
ATOM     27  F   LIG    1        8.167  -0.350   1.918  0.00  0.00    -0.166 F 
ATOM     28  C   LIG    1        7.639   0.063   0.732  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        8.233  -0.701  -0.226  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        8.102   1.330   0.542  0.00  0.00    -0.166 F 
ENDBRANCH  21  28
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5