REMARK  Name = BDB030880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.605   1.863  -0.121  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.011   2.998   0.541  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.258   2.905   1.115  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.033   1.806   1.059  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.550   0.751   0.395  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.352   0.736  -0.189  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.130  -0.673  -0.503  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        3.975   0.362  -1.462  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.401   0.696  -2.688  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.772   1.115  -1.482  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        1.747   0.842  -0.559  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.677   1.755  -0.797  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.042   2.534  -1.870  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1        1.924  -0.192   0.381  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.303   2.158  -2.268  0.00  0.00    -0.348 N 
ATOM     16  C   LIG    1        2.980   2.798  -3.376  0.00  0.00    +0.149 C 
ATOM     17  C   LIG    1        3.105  -0.936   0.401  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        5.721  -2.438   0.311  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.334  -1.411  -0.499  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.026  -1.157  -1.193  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.101  -2.951   1.229  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.507  -3.903   0.694  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.968  -2.826  -0.073  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.206   4.238   0.654  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        1.079   4.029   1.052  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.139   4.940  -0.511  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -0.719   5.117   1.566  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.287  -0.415   0.276  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.628  -1.131  -0.011  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.136  -0.761   1.421  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -4.200  -2.302   1.566  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -4.785  -3.011   0.416  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -4.053  -3.226  -0.260  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -5.821  -2.232  -0.274  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -6.528  -1.231   0.632  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -5.555  -0.201   1.217  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6