REMARK  Name = BDB012790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.408   1.597  -1.218  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.493   0.717  -0.591  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        2.740   1.212  -1.163  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        4.005   0.643  -1.097  0.00  0.00    +0.267 C 
ATOM      5  O   LIG    1        4.950   1.165  -1.696  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.530   2.470  -1.855  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.147   2.926  -1.413  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.356   3.934   2.067  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -2.169   2.746   1.172  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.044   2.709   0.421  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -0.853   1.647  -0.396  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -1.766   0.598  -0.472  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -2.924   0.640   0.306  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -3.126   1.740   1.140  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -3.911  -0.429   0.252  0.00  0.00    -0.000 A 
ATOM     16  C   LIG    1       -3.604  -1.761   0.039  0.00  0.00    +0.093 A 
ATOM     17  N   LIG    1       -4.769  -2.482   0.063  0.00  0.00    -0.356 N 
ATOM     18  C   LIG    1       -4.858  -3.912  -0.122  0.00  0.00    +0.148 C 
ATOM     19  C   LIG    1       -5.824  -1.643   0.291  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -5.324  -0.365   0.417  0.00  0.00    +0.027 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        4.226  -0.591  -0.305  0.00  0.00    +0.147 A 
ATOM     22  N   LIG    1        3.299  -1.215   0.449  0.00  0.00    -0.169 NA
ATOM     23  N   LIG    1        3.944  -2.256   0.994  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1        3.427  -2.866   1.618  0.00  0.00    +0.189 HD
ATOM     25  C   LIG    1        5.253  -2.353   0.622  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        6.142  -3.430   1.106  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1        5.468  -1.286  -0.219  0.00  0.00    +0.057 A 
ENDBRANCH   4  21
TORSDOF 3