REMARK  Name = BDB027824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.673  -0.258  -0.392  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.541  -1.588  -0.869  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.735  -2.178  -0.827  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.826  -3.479  -1.299  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.195  -4.225  -1.801  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.395  -3.625  -1.846  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.826  -1.539  -0.362  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        1.696  -0.265   0.066  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -1.615  -2.333  -1.403  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.475   0.398   0.067  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.920   0.362   0.564  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.044   0.510  -0.251  0.00  0.00    +0.151 A 
ATOM     13  F   LIG    1        4.034   0.114  -1.532  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1        5.182   1.108   0.265  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1        5.282   1.571   1.533  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1        4.194   1.415   2.315  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.010   0.831   1.884  0.00  0.00    +0.032 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1       -1.938   0.375  -0.371  0.00  0.00    -0.330 N 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.347   2.149  -1.356  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -1.966   1.769  -0.841  0.00  0.00    +0.102 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -2.757   0.012   0.805  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.367   0.751   2.078  0.00  0.00    +0.024 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4