REMARK  Name = BDB031049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.166  -1.022  -0.872  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.990  -0.324  -0.823  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        1.560   0.046  -1.987  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        0.984  -0.261  -3.217  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.199  -0.993  -3.254  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.785  -1.389  -2.059  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -4.213  -0.375   0.967  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -3.034  -0.473   0.320  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -1.961  -1.152   0.903  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -2.029  -1.717   2.175  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -0.882  -2.249   2.538  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -0.041  -2.027   1.480  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -3.266  -1.620   2.868  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -0.684  -1.398   0.429  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -4.306  -0.983   2.298  0.00  0.00    +0.009 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -5.532   1.787   0.871  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -5.409   0.341   0.456  0.00  0.00    -0.006 C 
ATOM     18  C   LIG    1       -6.687  -0.459   0.281  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -5.909  -0.036  -0.928  0.00  0.00    +0.012 C 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1        2.748   0.810  -1.970  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        3.405   0.407  -2.632  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.372   1.190  -0.735  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1        4.172   0.037  -0.061  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1        5.274   1.042   0.136  0.00  0.00    -0.001 C 
ATOM     25  C   LIG    1        6.715   0.625   0.109  0.00  0.00    +0.089 C 
ATOM     26  N   LIG    1        6.961   1.630   1.176  0.00  0.00    -0.315 NA
ATOM     27  H   LIG    1        7.566   1.312   1.931  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        5.510   1.632   1.502  0.00  0.00    +0.089 C 
ATOM     29  C   LIG    1        4.722   1.932  -0.954  0.00  0.00    +0.031 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 4