REMARK  Name = BDB014084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.053  -0.765  -0.638  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.645  -0.735  -1.940  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        2.121  -1.159  -1.784  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.855  -0.331  -0.805  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        2.138  -0.369   0.489  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.659   0.056   0.368  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.459   1.813   1.921  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.178   0.991   0.951  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.475   0.067   0.157  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -2.099   0.071   0.159  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.438  -0.742  -0.604  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -2.085  -1.643  -1.396  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -1.563  -2.342  -1.893  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -3.435  -1.786  -1.402  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -3.991  -2.678  -2.037  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.178  -0.809  -0.590  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.675  -0.860  -0.644  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.317   0.396  -0.062  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.607   0.811   1.220  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        4.248  -0.808  -0.679  0.00  0.00    +0.142 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.175   0.152   0.042  0.00  0.00    +0.090 A 
ATOM     22  C   LIG    1        5.487  -0.051   1.387  0.00  0.00    +0.149 A 
ATOM     23  F   LIG    1        4.978  -1.092   2.060  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        6.329   0.836   2.044  0.00  0.00    +0.080 A 
ATOM     25  C   LIG    1        6.838   1.908   1.331  0.00  0.00    +0.144 A 
ATOM     26  F   LIG    1        7.653   2.788   1.927  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        6.497   2.057  -0.003  0.00  0.00    +0.149 A 
ATOM     28  N   LIG    1        5.681   1.203  -0.667  0.00  0.00    -0.253 NA
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3