REMARK  Name = BDB065364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.839  -0.050  -0.122  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1       -0.943  -0.050  -1.462  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -2.057  -0.697  -1.774  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1       -2.661  -1.097  -0.609  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1       -1.892  -0.685   0.459  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.274   0.602   0.530  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1        1.347  -0.367   1.029  0.00  0.00    +0.023 C 
BRANCH   7   8
ATOM      8  C   LIG    1        2.054  -1.181  -0.061  0.00  0.00    +0.002 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.764  -0.372  -1.155  0.00  0.00    +0.011 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.822   0.610  -0.655  0.00  0.00    +0.120 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.007  -0.067  -0.005  0.00  0.00    +0.307 C 
ATOM     12  O   LIG    1        5.334  -1.233  -0.170  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1        5.674   0.836   0.769  0.00  0.00    -0.465 OA
BRANCH  13  15
ATOM     14  C   LIG    1        8.054   0.452   0.536  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        6.842   0.340   1.441  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  16
ATOM     16  C   LIG    1       -3.948  -1.841  -0.627  0.00  0.00    +0.185 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -5.058  -0.916  -0.415  0.00  0.00    -0.290 N 
ATOM     18  C   LIG    1       -5.511  -0.702   0.893  0.00  0.00    +0.351 A 
ATOM     19  O   LIG    1       -5.000  -1.288   1.844  0.00  0.00    -0.244 OA
ATOM     20  N   LIG    1       -6.546   0.188   1.094  0.00  0.00    -0.175 NA
ATOM     21  C   LIG    1       -7.057   0.828   0.085  0.00  0.00    +0.159 A 
ATOM     22  C   LIG    1       -6.561   0.655  -1.299  0.00  0.00    +0.179 A 
ATOM     23  F   LIG    1       -7.118   1.388  -2.277  0.00  0.00    -0.200 F 
ATOM     24  C   LIG    1       -5.577  -0.217  -1.486  0.00  0.00    +0.132 A 
BRANCH  21  25
ATOM     25  N   LIG    1       -8.085   1.695   0.352  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1       -8.154   1.940   1.335  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -8.197   2.479  -0.281  0.00  0.00    +0.144 HD
ENDBRANCH  21  25
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11