REMARK  Name = BDB061446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.828  -1.552  -1.130  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        3.564  -0.772  -1.132  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1        2.431  -1.135  -0.437  0.00  0.00    -0.304 N 
ATOM      4  C   LIG    1        1.471  -0.192  -0.678  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1        2.076   0.727  -1.518  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        1.319   1.825  -1.927  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        0.004   1.902  -1.450  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -0.506   0.903  -0.605  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.217  -0.173  -0.194  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1        3.367   0.356  -1.792  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.886   0.953  -0.079  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.178   0.488   1.210  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1       -3.476   0.560   1.689  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1       -4.497   1.038   0.962  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -4.230   1.462  -0.282  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1       -2.957   1.447  -0.832  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1       -3.785   0.092   2.965  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -4.769   0.293   3.126  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -3.192   0.515   3.670  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1       -5.306   1.962  -1.014  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -5.401   1.487  -1.904  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -6.135   1.836  -0.436  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1        2.230  -2.304   0.390  0.00  0.00    +0.238 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.507  -2.034   1.849  0.00  0.00    +0.407 C 
ATOM     25  F   LIG    1        3.786  -1.642   2.046  0.00  0.00    -0.169 F 
ATOM     26  F   LIG    1        2.330  -3.170   2.569  0.00  0.00    -0.169 F 
ATOM     27  F   LIG    1        1.698  -1.096   2.380  0.00  0.00    -0.169 F 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5