REMARK  Name = BDB023512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.279   0.966   0.566  0.00  0.00    +0.194 C 
ATOM      2  N   LIG    1        1.164   0.000  -0.108  0.00  0.00    -0.256 N 
ATOM      3  C   LIG    1        0.451  -1.067  -0.635  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        0.846  -1.947  -1.375  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.942  -0.921  -0.222  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.017  -1.760  -0.471  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -3.291  -1.390   0.006  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -3.410  -0.164   0.701  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -2.300   0.658   0.924  0.00  0.00    +0.132 A 
ATOM     10  F   LIG    1       -2.461   1.810   1.585  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.060   0.278   0.458  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        0.221   2.353  -0.093  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        0.126   2.489  -1.494  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        0.052   3.750  -2.094  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.057   4.894  -1.303  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.036   6.445  -2.040  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        0.128   4.788   0.083  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        0.203   3.527   0.682  0.00  0.00    +0.010 A 
ENDBRANCH   1  12
BRANCH   7  19
ATOM     19  C   LIG    1       -4.489  -2.298  -0.269  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.936  -2.154  -1.727  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -5.690  -2.079   0.660  0.00  0.00    +0.046 C 
BRANCH  19  22
ATOM     22  O   LIG    1       -4.082  -3.658  -0.077  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1       -3.637  -3.708   0.787  0.00  0.00    +0.211 HD
ENDBRANCH  19  22
ENDBRANCH   7  19
BRANCH   1  25
ATOM     24  C   LIG    1        1.835   1.117   2.431  0.00  0.00    +0.197 C 
ATOM     25  O   LIG    1        0.501   0.998   1.979  0.00  0.00    -0.351 OA
ENDBRANCH   1  25
BRANCH   2  26
ATOM     26  C   LIG    1        2.482   0.346  -0.640  0.00  0.00    +0.166 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.635  -0.447  -0.055  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1        4.444   0.202   0.826  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1        5.487  -0.488   1.352  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1        5.775  -1.807   1.043  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1        4.945  -2.458   0.135  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        3.866  -1.771  -0.423  0.00  0.00    +0.026 A 
BRANCH  30  33
ATOM     33  C   LIG    1        6.891  -2.466   1.641  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1        7.800  -2.997   2.130  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 7