REMARK  Name = BDB042586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.486   1.818   0.135  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.625   1.025   0.241  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        2.854   1.674   0.712  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        4.136   0.956   0.255  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1        4.066  -0.495   0.570  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1        2.875  -1.134  -0.028  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        1.586  -0.432   0.441  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1        0.528   3.042   0.261  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.298  -1.156   0.454  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        5.535  -2.205  -0.443  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        6.781  -2.835  -0.503  0.00  0.00    +0.142 A 
ATOM     12  F   LIG    1        6.952  -3.827  -1.389  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1        7.824  -2.448   0.330  0.00  0.00    +0.087 A 
ATOM     14  C   LIG    1        7.610  -1.414   1.240  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        6.361  -0.783   1.298  0.00  0.00    +0.024 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.092  -3.103   0.258  0.00  0.00    +0.102 C 
ATOM     17  N   LIG    1       10.133  -3.614   0.223  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.820   1.104  -0.169  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.982   2.088  -0.318  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -6.477   0.975   2.341  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.562   0.422   0.944  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -5.515   0.567   0.008  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -5.671   0.023  -1.284  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -4.576   0.174  -2.274  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1       -3.454   0.849  -1.849  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.732   0.957  -2.551  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.284   1.377  -0.592  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -4.660  -0.280  -3.409  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.835  -0.654  -1.653  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -7.852  -0.788  -0.724  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -8.975  -1.435  -1.062  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -4.259   1.266   0.325  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -7.729  -0.262   0.558  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5