REMARK  Name = BDB006890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.783   0.597  -0.805  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.171  -0.238  -1.381  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.546  -0.250  -1.074  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.200  -1.218  -1.825  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.554  -1.390  -1.649  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.269  -0.657  -0.769  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.612   0.291  -0.046  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        1.267  -1.930  -2.763  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.589  -1.584  -4.221  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.289  -3.447  -2.555  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.244   0.528  -0.171  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.098  -1.327  -2.338  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.497   1.489  -0.003  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.234   0.372  -1.287  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.622  -0.041   0.780  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -3.305   0.822  -0.387  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.298   2.248  -0.046  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.697   2.712   0.469  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -5.530   3.299  -0.674  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -5.494   1.630   1.107  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.934   1.103   0.350  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.576   0.691   1.779  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -2.446  -0.637   1.592  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -0.653  -2.167   1.549  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -1.780  -1.660   0.842  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.433   1.087   0.940  0.00  0.00    +0.058 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.212   0.662   2.404  0.00  0.00    -0.011 C 
ATOM     28  C   LIG    1        4.713  -0.759   2.672  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1        4.919   1.645   3.341  0.00  0.00    +0.007 C 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6