REMARK  Name = BDB030864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784  -1.109  -1.361  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.458  -0.877  -2.538  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.736  -0.401  -2.374  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.303  -0.160  -1.176  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.568  -0.399  -0.084  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.317  -0.866  -0.141  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.336  -0.422   0.221  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.095  -1.639  -0.451  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.480  -2.907  -0.752  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.796  -1.916  -0.906  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.735  -1.031  -0.719  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.575  -1.621  -1.311  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.951  -2.853  -1.806  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.986   0.180  -0.044  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.291  -3.012  -1.571  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        2.839  -3.823  -1.829  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.280   0.470   0.416  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.125   0.934   1.337  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.646  -0.155   0.672  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.347  -0.861   0.487  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.515   1.931   1.691  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        8.094   1.809   2.255  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.453   0.738   1.560  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.893  -1.106  -3.890  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -1.657  -0.555  -4.879  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.799  -2.426  -4.212  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.348  -0.578  -4.067  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.064  -0.191   1.205  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1       -2.264  -0.284   1.823  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.119   0.751   1.577  0.00  0.00    +0.082 C 
ATOM     31  C   LIG    1       -5.389   0.958   0.793  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -6.640   1.475   1.416  0.00  0.00    +0.086 C 
ATOM     33  N   LIG    1       -6.231   2.682   2.162  0.00  0.00    -0.315 NA
ATOM     34  H   LIG    1       -5.963   2.384   3.099  0.00  0.00    +0.122 HD
ATOM     35  C   LIG    1       -5.025   3.218   1.503  0.00  0.00    +0.086 C 
ATOM     36  C   LIG    1       -4.381   2.044   0.848  0.00  0.00    +0.029 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6