REMARK  Name = BDB030858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.336   1.090  -0.923  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.991   2.299  -0.981  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.242   2.292  -0.412  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.798   1.215   0.175  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.076   0.093   0.207  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -0.858  -0.007  -0.327  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.790  -0.454  -0.146  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.488  -0.108  -1.482  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.687  -0.359  -2.939  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        3.181   0.324  -1.782  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        2.167   0.387  -0.827  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.990   0.873  -1.478  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.304   1.044  -2.812  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.463  -0.018   0.487  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.624   0.721  -2.979  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.134   0.757  -3.853  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.761  -0.441   0.807  0.00  0.00    +0.025 A 
BRANCH   7  20
ATOM     18  O   LIG    1        7.590   0.726  -0.669  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        7.251  -0.192   0.041  0.00  0.00    +0.221 C 
ATOM     20  N   LIG    1        6.076  -0.859   0.259  0.00  0.00    -0.270 N 
ATOM     21  C   LIG    1        6.505  -1.381   1.561  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1        7.939  -1.011   1.145  0.00  0.00    +0.115 C 
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   2  23
ATOM     23  C   LIG    1       -0.436   3.530  -1.593  0.00  0.00    +0.421 C 
ATOM     24  F   LIG    1       -0.429   3.492  -2.954  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -1.159   4.646  -1.276  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.837   3.815  -1.208  0.00  0.00    -0.166 F 
ENDBRANCH   2  23
BRANCH   5  27
ATOM     27  N   LIG    1       -2.556  -1.056   0.802  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1       -1.954  -1.805   0.474  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.986  -1.358   0.753  0.00  0.00    +0.087 C 
ATOM     30  C   LIG    1       -4.608  -1.275  -0.659  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -6.006  -1.728  -0.724  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1       -6.045  -2.721  -0.950  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -6.764  -1.479   0.504  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -6.228  -0.307   1.325  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -4.792  -0.559   1.789  0.00  0.00    +0.025 C 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 5