REMARK  Name = BDB061903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.715  -1.353  -0.752  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.869  -1.870   0.529  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.033  -1.757   1.184  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.187  -2.526   1.152  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.403  -2.678   0.480  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.571  -2.178  -0.822  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.492  -1.530  -1.442  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.984   0.924   1.363  0.00  0.00    +0.119 C 
ATOM      9  C   LIG    1       -2.510   1.334   1.453  0.00  0.00    +0.050 C 
ATOM     10  C   LIG    1       -1.719   1.297   0.145  0.00  0.00    +0.110 C 
ATOM     11  N   LIG    1       -2.356   0.502  -0.906  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -1.829  -0.678  -1.437  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -2.228  -1.183  -2.485  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -3.496   1.085  -1.616  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -4.222   2.216  -0.890  0.00  0.00    +0.021 C 
ATOM     16  C   LIG    1       -4.834   1.822   0.452  0.00  0.00    +0.033 C 
BRANCH   8  18
ATOM     17  C   LIG    1       -5.654   0.176   2.901  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -4.499   0.982   2.705  0.00  0.00    -0.380 OA
ENDBRANCH   8  18
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  C   LIG    1        2.876  -2.375  -1.560  0.00  0.00    +0.093 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.078  -1.822  -0.803  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        4.376  -0.366  -0.836  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        5.472   0.074  -0.097  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        5.818   1.431  -0.070  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        5.062   2.353  -0.791  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.966   1.920  -1.535  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.272  -0.905   0.657  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1        7.244  -0.562   1.320  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        5.866  -2.213   0.568  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1        6.407  -2.903   1.080  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1        3.621   0.564  -1.561  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1        4.797  -2.675  -0.133  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4