REMARK  Name = BDB023051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.161   0.721   1.167  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.310  -0.682   1.556  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.484  -0.929   0.619  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        2.040   0.484   0.438  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.877   1.342   0.375  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -5.920   0.582  -0.570  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1       -5.021   0.539   0.362  0.00  0.00    +0.206 A 
ATOM      8  C   LIG    1       -3.620   0.624  -0.006  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1       -2.915   0.731  -1.215  0.00  0.00    +0.154 A 
ATOM     10  C   LIG    1       -1.565   0.770  -0.945  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -1.414   0.704   0.424  0.00  0.00    -0.302 N 
ATOM     12  F   LIG    1       -3.444   0.781  -2.443  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1       -2.660   0.593   0.979  0.00  0.00    +0.128 A 
ATOM     14  N   LIG    1       -2.991   0.465   2.277  0.00  0.00    -0.332 N 
ATOM     15  H   LIG    1       -2.330   0.419   3.050  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1       -4.339   0.396   2.561  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1       -5.320   0.427   1.716  0.00  0.00    -0.215 NA
BRANCH   6  19
ATOM     18  C   LIG    1       -8.153   0.744  -1.071  0.00  0.00    +0.313 C 
ATOM     19  O   LIG    1       -7.216   0.500  -0.030  0.00  0.00    -0.395 OA
ENDBRANCH   6  19
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1        0.760  -0.691   2.924  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        1.467  -1.373   2.946  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1        2.393  -1.840   1.235  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1        3.095  -2.031   0.583  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1        2.888   0.691  -0.833  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.196  -0.080  -0.818  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        5.215   0.296   0.075  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        6.426  -0.398   0.110  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.633  -1.472  -0.750  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        8.127  -2.319  -0.714  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.640  -1.859  -1.643  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.427  -1.167  -1.677  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1        2.114   0.335  -1.984  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        1.622   1.147  -2.235  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7