REMARK  Name = BDB030859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.183   0.398   1.972  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.129   1.107   3.110  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -1.363   1.714   3.081  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.210   1.652   2.036  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -1.806   0.961   0.965  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -0.635   0.325   0.896  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.693  -0.409  -0.892  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.555  -1.262   0.224  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.864  -2.574   0.650  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        3.417  -1.135   1.038  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        2.419  -0.194   0.782  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.429  -0.332   1.805  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.828  -1.371   2.622  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.566   0.649  -0.336  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.033  -1.832   2.162  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.566  -2.589   2.570  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.698   0.533  -1.158  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.201   0.148  -2.816  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.841  -0.548  -1.699  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.509  -1.259  -1.429  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.598   1.056  -3.366  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.898   0.297  -4.421  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.394  -0.343  -3.248  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1        0.757   1.234   4.292  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        2.043   1.559   3.989  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.342   2.205   5.159  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.814   0.096   5.039  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -2.626   0.862  -0.156  0.00  0.00    -0.311 N 
ATOM     29  H   LIG    1       -2.268   0.098  -0.718  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.038   1.030  -0.112  0.00  0.00    +0.074 C 
ATOM     31  C   LIG    1       -4.794  -0.236   0.381  0.00  0.00    +0.031 C 
ATOM     32  C   LIG    1       -5.724  -0.019  -0.791  0.00  0.00    -0.001 C 
ATOM     33  C   LIG    1       -6.365  -1.194  -1.468  0.00  0.00    +0.089 C 
ATOM     34  N   LIG    1       -7.620  -0.840  -0.756  0.00  0.00    -0.315 NA
ATOM     35  H   LIG    1       -8.463  -0.889  -1.326  0.00  0.00    +0.122 HD
ATOM     36  C   LIG    1       -7.101   0.534  -0.529  0.00  0.00    +0.089 C 
ATOM     37  C   LIG    1       -4.704   0.827  -1.504  0.00  0.00    +0.031 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6