REMARK  Name = BDB031117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.008  -0.722  -0.503  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.918  -0.271   0.390  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.951  -1.077   0.693  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.109  -2.333   0.122  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.173  -2.776  -0.808  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.102  -1.955  -1.133  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.173   0.017  -0.636  0.00  0.00    +0.132 A 
ATOM      8  C   LIG    1        4.503   1.123  -1.030  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        3.077   1.129  -1.046  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        2.417  -0.035  -0.655  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1        1.063   0.215  -0.781  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        0.991   1.538  -1.178  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        3.100  -1.174  -0.223  0.00  0.00    +0.097 A 
ATOM     14  N   LIG    1        2.233   2.083  -1.370  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        4.444  -1.171  -0.206  0.00  0.00    +0.064 A 
BRANCH   7  16
ATOM     16  O   LIG    1        6.533  -0.160  -0.572  0.00  0.00    -0.434 OA
BRANCH  16  18
ATOM     17  F   LIG    1        8.644   0.479  -0.936  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        7.358   0.899  -1.030  0.00  0.00    +0.541 C 
ATOM     19  F   LIG    1        7.230   1.957  -0.194  0.00  0.00    -0.166 F 
ENDBRANCH  16  18
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  N   LIG    1       -2.845  -0.564   1.629  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -2.446   0.338   1.889  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.237  -0.424   1.151  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.404   0.646   0.072  0.00  0.00    +0.201 C 
ATOM     24  F   LIG    1       -5.516   0.347  -0.663  0.00  0.00    -0.242 F 
ATOM     25  C   LIG    1       -4.655   1.945   0.840  0.00  0.00    +0.119 C 
ATOM     26  N   LIG    1       -4.869   1.606   2.263  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -4.007   1.789   2.780  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -5.114   0.151   2.272  0.00  0.00    +0.106 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5