REMARK  Name = BDB021041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.140   0.637   1.522  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.192   0.483   1.047  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        2.224   0.191   1.967  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.539   0.026   1.508  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        3.812   0.152   0.152  0.00  0.00    +0.075 A 
ATOM      6  N   LIG    1        2.850   0.416  -0.759  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        1.926   0.065   3.334  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        0.622   0.230   3.794  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        1.585   0.585  -0.297  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -0.396   0.516   2.893  0.00  0.00    +0.133 A 
ATOM     11  F   LIG    1       -1.637   0.680   3.377  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  23
ATOM     12  C   LIG    1       -6.774  -3.899   1.392  0.00  0.00    +0.129 C 
ATOM     13  N   LIG    1       -6.050  -2.822   0.761  0.00  0.00    -0.302 N 
ATOM     14  H   LIG    1       -6.593  -1.995   0.568  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1       -4.771  -2.542   1.177  0.00  0.00    +0.302 C 
ATOM     16  N   LIG    1       -4.182  -1.462   0.530  0.00  0.00    -0.278 N 
ATOM     17  C   LIG    1       -2.826  -1.136   0.976  0.00  0.00    +0.164 C 
ATOM     18  C   LIG    1       -2.362   0.159   0.410  0.00  0.00    +0.064 A 
ATOM     19  N   LIG    1       -3.060   0.842  -0.556  0.00  0.00    -0.328 N 
ATOM     20  C   LIG    1       -2.351   1.955  -0.901  0.00  0.00    +0.114 A 
ATOM     21  N   LIG    1       -1.233   2.028  -0.214  0.00  0.00    -0.232 NA
ATOM     22  C   LIG    1       -4.335   0.407  -1.078  0.00  0.00    +0.142 C 
ATOM     23  C   LIG    1       -1.234   0.931   0.616  0.00  0.00    +0.097 A 
ATOM     24  C   LIG    1       -4.518  -1.088  -0.849  0.00  0.00    +0.131 C 
ATOM     25  O   LIG    1       -4.207  -3.189   2.054  0.00  0.00    -0.253 OA
BRANCH  20  26
ATOM     26  C   LIG    1       -2.775   3.018  -1.952  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -1.706   3.703  -2.763  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -2.614   2.702  -3.416  0.00  0.00    +0.012 C 
ENDBRANCH  20  26
ENDBRANCH   1  23
BRANCH   5  29
ATOM     29  C   LIG    1        5.156  -0.016  -0.373  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        6.442   0.296   0.153  0.00  0.00    +0.069 A 
ATOM     31  C   LIG    1        6.795   0.943   1.442  0.00  0.00    +0.068 C 
ATOM     32  N   LIG    1        7.425  -0.058  -0.689  0.00  0.00    -0.176 NA
ATOM     33  N   LIG    1        6.775  -0.546  -1.759  0.00  0.00    -0.274 N 
ATOM     34  C   LIG    1        7.530  -1.003  -2.900  0.00  0.00    +0.172 C 
ATOM     35  C   LIG    1        5.423  -0.545  -1.621  0.00  0.00    +0.118 A 
ENDBRANCH   5  29
TORSDOF 3