REMARK  Name = BDB061645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.405   1.416  -2.066  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -2.831   2.010   1.724  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.228   1.103   0.690  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -2.611  -0.240   0.546  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.937  -1.079  -0.357  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -2.217  -2.551  -0.454  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -0.978  -0.523  -1.218  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.647   0.836  -1.153  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -1.264   1.634  -0.182  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -3.578  -0.755   1.370  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.910  -0.768   0.826  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.787   0.101   1.749  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.427  -2.212   0.982  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.149  -0.340  -0.648  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -5.270  -1.081  -1.613  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.207   0.997  -0.831  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -5.275   1.095  -1.804  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        1.715   1.401  -1.460  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        2.607   0.323  -1.481  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        2.457  -0.713  -2.113  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        3.662   0.709  -0.666  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        3.294   1.920  -0.188  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        2.164   2.385  -0.617  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.799  -0.068  -0.321  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1        6.062   0.470   0.018  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1        7.098  -0.404   0.431  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.917  -1.782   0.470  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.697  -2.317   0.093  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.657  -1.471  -0.298  0.00  0.00    +0.027 A 
BRANCH  25  30
ATOM     30  C   LIG    1        6.426   1.931  -0.092  0.00  0.00    +0.419 C 
ATOM     31  F   LIG    1        5.809   2.572  -1.122  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.759   2.144  -0.286  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.107   2.627   1.034  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8