REMARK  Name = BDB058281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.012   0.199   2.893  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -1.698  -0.081   1.741  0.00  0.00    +0.221 C 
ATOM      3  N   LIG    1       -2.531  -0.166   0.653  0.00  0.00    -0.254 N 
ATOM      4  H   LIG    1       -2.172  -0.418  -0.254  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.899   0.051   0.651  0.00  0.00    +0.222 A 
ATOM      6  N   LIG    1       -4.472  -0.111  -0.551  0.00  0.00    -0.210 NA
ATOM      7  C   LIG    1       -5.816   0.083  -0.637  0.00  0.00    +0.149 A 
ATOM      8  C   LIG    1       -6.572   0.443   0.463  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -5.888   0.584   1.644  0.00  0.00    +0.116 A 
ATOM     10  N   LIG    1       -4.564   0.392   1.755  0.00  0.00    -0.223 NA
BRANCH   7  11
ATOM     11  C   LIG    1       -6.507  -0.077  -1.981  0.00  0.00    +0.434 C 
ATOM     12  F   LIG    1       -5.729  -0.649  -2.943  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -6.923   1.116  -2.496  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -7.628  -0.852  -1.902  0.00  0.00    -0.164 F 
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -0.249  -0.358   1.391  0.00  0.00    +0.111 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.385   0.890   0.774  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.805   0.805   0.409  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1        2.073  -0.149  -0.677  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1        3.542  -0.259  -1.034  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.537   0.153  -0.129  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        5.889   0.011  -0.469  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        6.253  -0.559  -1.688  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.270  -0.986  -2.579  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.148   0.807   1.173  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        3.921  -0.839  -2.253  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.685   0.541   1.554  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5