REMARK  Name = BDB030912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.584  -0.931  -1.173  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -1.361  -0.662  -2.280  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.648  -0.261  -1.995  0.00  0.00    +0.130 A 
ATOM      4  N   LIG    1       -3.137  -0.116  -0.749  0.00  0.00    -0.203 NA
ATOM      5  C   LIG    1       -2.291  -0.384   0.252  0.00  0.00    +0.319 A 
ATOM      6  N   LIG    1       -1.028  -0.787   0.094  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.612  -0.105   0.059  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.372  -1.282  -0.681  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.783  -2.454  -1.185  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        3.054  -1.592  -1.053  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.973  -0.777  -0.717  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.796  -1.379  -1.262  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.185  -2.554  -1.874  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.224   0.392   0.028  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.545  -2.663  -1.755  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.106  -3.426  -2.111  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.537   0.714   0.406  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.427   1.263   1.119  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.942   0.195   0.423  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.655  -0.463   0.136  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.807   2.209   1.579  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        8.423   2.169   1.939  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.775   1.114   1.227  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  -0.782  -3.683  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        0.309  -0.190  -3.919  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -1.752  -0.203  -4.573  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -0.775  -2.074  -4.097  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  O   LIG    1       -2.700  -0.284   1.558  0.00  0.00    -0.458 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -3.959   0.339   1.828  0.00  0.00    +0.190 C 
ATOM     30  C   LIG    1       -4.048   1.819   1.401  0.00  0.00    +0.125 C 
ATOM     31  N   LIG    1       -5.307   2.435   1.829  0.00  0.00    -0.312 NA
ATOM     32  H   LIG    1       -5.373   3.381   1.454  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -6.497   1.663   1.468  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -6.233   0.362   0.708  0.00  0.00    +0.019 C 
ATOM     35  C   LIG    1       -5.175  -0.498   1.395  0.00  0.00    +0.047 C 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6