REMARK  Name = BDB061442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.691   0.262   2.925  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -2.260   0.457   2.577  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -1.616  -0.210   1.554  0.00  0.00    -0.308 N 
ATOM      4  C   LIG    1       -0.317   0.225   1.527  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -0.234   1.157   2.550  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        0.997   1.780   2.762  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.049   1.415   1.914  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.848   0.462   0.903  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.660  -0.166   0.687  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -1.437   1.288   3.191  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.931   0.061  -0.016  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        3.877   0.972  -0.498  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        4.875   0.533  -1.355  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.991  -0.743  -1.753  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        4.077  -1.619  -1.308  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        3.048  -1.265  -0.450  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        5.839   1.423  -1.826  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        6.441   0.898  -2.457  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        5.419   2.221  -2.287  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        4.226  -2.940  -1.725  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        5.008  -2.962  -2.374  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        3.375  -3.298  -2.142  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -2.161  -1.238   0.686  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.951  -0.654  -0.462  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1       -2.306   0.085  -1.469  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -3.035   0.620  -2.532  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -4.407   0.413  -2.595  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1       -5.106   0.925  -3.616  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.064  -0.321  -1.615  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -4.338  -0.857  -0.550  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5