REMARK  Name = BDB030899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.092  -1.195   1.136  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.835  -0.968   2.270  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -3.107  -0.505   2.029  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.605  -0.272   0.800  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.807  -0.516  -0.242  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.557  -0.962  -0.113  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.103  -0.435  -0.139  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        3.840  -1.655   0.520  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.223  -2.902   0.906  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.520  -1.951   0.897  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.459  -1.082   0.644  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.275  -1.688   1.167  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.638  -2.914   1.686  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.733   0.131  -0.018  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        1.992  -3.054   1.532  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        2.535  -3.857   1.822  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.047   0.440  -0.400  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        5.936   0.948  -1.145  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.433  -0.150  -0.511  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.132  -0.846  -0.284  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.335   1.937  -1.533  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.943   1.850  -1.944  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.277   0.769  -1.290  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -1.348  -1.187   3.653  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -1.256  -2.505   3.985  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.128  -0.641   3.903  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.177  -0.643   4.594  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.229  -0.314  -1.537  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.396  -0.311  -2.116  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.215   0.705  -1.873  0.00  0.00    +0.088 C 
ATOM     31  C   LIG    1       -5.651   0.379  -1.443  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -6.251   1.690  -1.157  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -7.041   1.579  -0.523  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -5.178   2.442  -0.503  0.00  0.00    +0.083 C 
ATOM     35  C   LIG    1       -3.931   2.095  -1.304  0.00  0.00    +0.038 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6