REMARK  Name = BDB051101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -0.675  -0.860  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.657  -0.371  -2.205  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.472  -1.103  -2.977  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.015   0.705  -2.776  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.892   1.468  -2.001  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.123   1.145  -0.653  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.425   0.067  -0.087  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.453  -2.752   0.159  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.151  -1.833  -0.262  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -2.531  -1.840  -0.213  0.00  0.00    -0.291 N 
ATOM     11  C   LIG    1       -3.496  -0.771   0.131  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -3.112   0.027   1.380  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.078   1.203   1.513  0.00  0.00    +0.083 C 
ATOM     14  N   LIG    1       -3.994   2.135   0.386  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1       -4.908   2.563   0.233  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.496   1.539  -0.855  0.00  0.00    +0.083 C 
ATOM     17  C   LIG    1       -3.944   0.093  -1.049  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1       -4.492  -1.935   0.396  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1       -3.295  -2.876   0.486  0.00  0.00    +0.111 C 
ENDBRANCH   1   9
BRANCH   6  20
ATOM     20  C   LIG    1        2.066   1.992   0.174  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.956   1.195   1.119  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        4.114   0.432   0.587  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.883  -0.279   1.507  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        5.991  -1.025   1.087  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.330  -1.060  -0.265  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.566  -0.350  -1.190  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.519  -0.237   2.932  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1        5.173  -0.837   3.778  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        3.416   0.515   3.252  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1        3.148   0.552   4.231  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1        4.460   0.396  -0.769  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        2.644   1.220   2.382  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3