REMARK  Name = BDB042589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.476  -1.483  -1.144  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.732  -1.299  -0.578  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        2.005  -0.428   0.575  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        2.572   0.929   0.101  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1        3.742   0.745  -0.788  0.00  0.00    -0.325 N 
ATOM      6  C   LIG    1        3.473  -0.172  -1.933  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        2.913  -1.518  -1.423  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1        0.332  -1.924  -2.283  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.051   0.794  -0.304  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1        6.152   0.992  -1.169  0.00  0.00    +0.144 A 
ATOM     11  F   LIG    1        5.955   1.168  -2.486  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        7.469   1.056  -0.711  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        7.736   0.933   0.648  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        6.678   0.756   1.540  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        5.355   0.693   1.065  0.00  0.00    +0.045 A 
BRANCH  14  16
ATOM     16  C   LIG    1        6.936   0.634   2.945  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1        7.136   0.534   4.083  0.00  0.00    -0.191 NA
ENDBRANCH  14  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.722  -1.122  -0.283  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.039  -1.517  -0.954  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -5.914   2.154  -1.093  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.085   1.278   0.119  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -5.205   0.216   0.416  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -5.433  -0.562   1.570  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -4.513  -1.682   1.887  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1       -3.472  -1.886   1.011  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.873  -2.671   1.239  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.231  -1.133  -0.113  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -4.668  -2.388   2.877  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.509  -0.301   2.421  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -7.363   0.745   2.117  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -8.399   1.008   2.924  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -4.050  -0.118  -0.433  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -7.164   1.530   0.985  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5