REMARK  Name = BDB030879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.916  -1.352   1.293  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.492  -1.428   2.540  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.754  -0.886   2.616  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.391  -0.311   1.579  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.750  -0.284   0.407  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.522  -0.773   0.231  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.114  -0.397  -0.434  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        3.860  -1.745  -0.105  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.199  -3.086  -0.272  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.582  -2.102   0.356  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.555  -1.169   0.502  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.410  -1.867   0.998  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.758  -3.199   1.105  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.819   0.173   0.168  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.070  -3.324   0.732  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        2.594  -4.190   0.713  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.091   0.543  -0.295  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        5.888   1.165  -1.270  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.401  -0.053  -0.895  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.078  -0.802  -0.967  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.305   2.238  -1.286  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.830   2.204  -2.063  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.186   1.000  -1.642  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.845  -2.033   3.729  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -0.789  -3.392   3.675  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.429  -1.604   3.942  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -1.510  -1.752   4.889  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.339   0.276  -0.716  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.575   0.444  -1.363  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.219   1.410  -0.461  0.00  0.00    +0.088 C 
ATOM     31  C   LIG    1       -5.623   0.975   0.008  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -6.595   1.727  -0.808  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -6.697   2.661  -0.409  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -5.933   1.840  -2.110  0.00  0.00    +0.083 C 
ATOM     35  C   LIG    1       -4.491   2.167  -1.765  0.00  0.00    +0.038 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6