REMARK  Name = BDB014413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.267   0.074   2.428  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.267   0.316   1.223  0.00  0.00    -0.272 OA
ATOM      3  C   LIG    1        1.866  -0.804   1.519  0.00  0.00    +0.251 C 
ATOM      4  N   LIG    1        0.634  -1.018   2.111  0.00  0.00    -0.310 N 
ATOM      5  H   LIG    1        0.332  -1.963   2.317  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        2.663  -2.096   1.284  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.904  -1.955   0.616  0.00  0.00    -0.483 OA
BRANCH   7   8
ATOM      8  C   LIG    1        5.004  -1.634   1.362  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        6.223  -1.806   0.704  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1        7.414  -1.512   1.358  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1        8.579  -1.689   0.720  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        7.415  -1.040   2.663  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        6.202  -0.853   3.322  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        4.997  -1.147   2.672  0.00  0.00    +0.046 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -1.403   0.262   1.403  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.418   1.063   2.028  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -2.086   1.977   2.071  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -0.913   0.922   0.088  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.824   0.925  -1.071  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.107   1.600  -0.827  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.001   1.623  -2.051  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -3.836   0.676  -3.079  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -4.698   0.689  -4.183  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.735   1.619  -4.256  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.914   2.545  -3.231  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.691  -0.305  -3.022  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.054   2.546  -2.132  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.063  -0.412  -1.624  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 8