REMARK  Name = BDB064229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.144  -0.685  -1.239  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.437  -1.728  -1.957  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.137  -2.204  -3.071  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.628  -2.301  -1.526  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.262  -1.812  -0.381  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.719  -0.732   0.334  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -0.501  -0.182  -0.100  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.895  -1.084  -0.648  0.00  0.00    -0.288 N 
ATOM      9  C   LIG    1        3.955  -2.108  -0.525  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        4.112  -3.043   0.264  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        2.774  -2.120  -1.519  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        2.477  -0.805  -2.092  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1        1.390  -0.032  -1.689  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        1.415   1.199  -1.684  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        3.660  -0.108  -2.571  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        4.595   0.145  -1.391  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.980  -1.035   0.337  0.00  0.00    +0.228 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.652  -0.392   1.686  0.00  0.00    +0.324 C 
ATOM     19  O   LIG    1        6.488  -0.229   2.568  0.00  0.00    -0.249 OA
BRANCH  18  21
ATOM     20  C   LIG    1        3.995   0.553   3.046  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1        4.344  -0.023   1.787  0.00  0.00    -0.467 OA
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1       -2.406  -0.184   1.570  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.803   0.194   1.349  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -4.146   1.416   0.691  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -5.494   1.729   0.476  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -5.881   2.911  -0.171  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -4.913   3.805  -0.615  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.568   3.516  -0.409  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.529   0.794   0.942  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -7.724   1.006   0.768  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -6.079  -0.327   1.579  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -6.780  -0.982   1.893  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -3.188   2.334   0.238  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -4.780  -0.689   1.786  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -4.540  -1.766   2.331  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 6