REMARK  Name = BDB014171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.230  -0.228   0.446  0.00  0.00    +0.092 A 
ATOM      2  N   LIG    1        0.123   0.851  -0.367  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        1.097   1.781  -0.306  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        2.198   1.690   0.526  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.312   0.571   1.349  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.304  -0.397   1.313  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.939  -2.801  -0.511  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1       -2.645  -2.373  -0.039  0.00  0.00    -0.333 N 
ATOM      9  C   LIG    1       -2.028  -1.170  -0.310  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -0.823  -1.242   0.384  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.723  -2.452   1.052  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -1.828  -3.101   0.775  0.00  0.00    +0.200 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -2.623  -0.129  -1.140  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.522  -0.196  -2.536  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -3.103   0.796  -3.328  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -3.780   1.848  -2.722  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1       -4.337   2.799  -3.483  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -3.886   1.931  -1.338  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -3.305   0.940  -0.544  0.00  0.00    +0.013 A 
ENDBRANCH   9  13
ENDBRANCH   1  10
BRANCH   5  20
ATOM     20  C   LIG    1        3.430   0.396   2.252  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        4.763   0.638   2.010  0.00  0.00    +0.166 A 
ATOM     22  N   LIG    1        5.376   0.283   3.175  0.00  0.00    -0.253 N 
ATOM     23  H   LIG    1        6.362   0.298   3.419  0.00  0.00    +0.191 HD
ATOM     24  N   LIG    1        4.494  -0.155   4.082  0.00  0.00    -0.067 NA
ATOM     25  N   LIG    1        3.293  -0.103   3.523  0.00  0.00    -0.129 NA
BRANCH  21  26
ATOM     26  C   LIG    1        5.533   1.114   0.869  0.00  0.00    +0.436 C 
ATOM     27  F   LIG    1        5.358   2.442   0.663  0.00  0.00    -0.164 F 
ATOM     28  F   LIG    1        5.205   0.482  -0.281  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1        6.864   0.923   1.059  0.00  0.00    -0.164 F 
ENDBRANCH  21  26
ENDBRANCH   5  20
TORSDOF 4