REMARK  Name = BDB008429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.407  -2.864  -1.011  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.452  -2.120  -0.767  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.745  -0.706  -0.484  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.730   0.206  -0.198  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -4.040   1.543   0.071  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -5.354   2.017   0.062  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -6.356   1.091  -0.228  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1       -7.630   1.504  -0.247  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -2.850   2.197   0.322  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -2.771   3.179   0.556  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -1.814   1.310   0.215  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -0.382   1.638   0.415  0.00  0.00    +0.165 C 
ATOM     13  N   LIG    1        0.351   0.398   0.660  0.00  0.00    -0.256 N 
ATOM     14  C   LIG    1        1.601   0.528   1.244  0.00  0.00    +0.404 C 
ATOM     15  O   LIG    1        2.026   1.584   1.700  0.00  0.00    -0.226 OA
ATOM     16  C   LIG    1        0.005  -0.805  -0.127  0.00  0.00    +0.169 C 
ATOM     17  C   LIG    1       -1.502  -1.063  -0.280  0.00  0.00    +0.088 A 
ATOM     18  N   LIG    1       -1.908  -2.255  -0.584  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1       -2.343   0.080  -0.106  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -6.072  -0.242  -0.497  0.00  0.00    +0.052 A 
ATOM     21  N   LIG    1       -3.189  -2.676  -0.781  0.00  0.00    -0.242 N 
ATOM     22  H   LIG    1       -3.237  -3.669  -1.003  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  14  23
ATOM     23  O   LIG    1        2.297  -0.637   1.246  0.00  0.00    -0.445 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.625  -0.577   1.780  0.00  0.00    +0.269 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.609  -0.414   0.651  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        4.997  -1.518  -0.120  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        5.893  -1.362  -1.179  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.402  -0.101  -1.482  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.013   1.006  -0.730  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.117   0.852   0.330  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  14  23
TORSDOF 3