REMARK  Name = BDB000121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.795   0.559  -1.336  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -1.880  -0.166  -0.937  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -2.282  -1.306  -0.109  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -3.739  -1.357  -0.380  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1       -4.241  -0.253  -1.248  0.00  0.00    +0.165 C 
ATOM      6  C   LIG    1       -4.503  -2.332   0.217  0.00  0.00    +0.221 C 
ATOM      7  O   LIG    1       -3.999  -3.169   0.970  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.973   0.419  -1.572  0.00  0.00    +0.087 A 
ATOM      9  N   LIG    1       -2.663   1.453  -2.344  0.00  0.00    -0.175 NA
ATOM     10  N   LIG    1       -1.313   1.528  -2.180  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1       -0.783   2.254  -2.657  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        1.490   1.309  -1.525  0.00  0.00    +0.249 C 
ATOM     13  N   LIG    1        0.543   0.430  -1.024  0.00  0.00    -0.266 N 
ATOM     14  H   LIG    1        0.809  -0.289  -0.364  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        1.237   2.274  -2.242  0.00  0.00    -0.270 OA
BRANCH  12  19
ATOM     16  C   LIG    1        5.596   0.631  -0.343  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1        4.710  -0.447  -0.504  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        3.377  -0.247  -0.889  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.897   1.045  -1.115  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        3.765   2.129  -0.981  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        5.094   1.923  -0.595  0.00  0.00    +0.005 A 
BRANCH  16  23
ATOM     22  C   LIG    1        7.333   1.217   1.388  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1        7.065   0.445   0.078  0.00  0.00    -0.013 C 
ATOM     24  C   LIG    1        7.995   0.985  -1.030  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        7.461  -1.028   0.329  0.00  0.00    +0.015 C 
ENDBRANCH  16  23
ENDBRANCH  12  19
ENDBRANCH   1  13
BRANCH   6  26
ATOM     26  C   LIG    1       -5.994  -2.358  -0.086  0.00  0.00    +0.131 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.798  -1.354   0.705  0.00  0.00    -0.039 A 
ATOM     28  C   LIG    1       -7.717  -0.516   0.058  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.472   0.405   0.786  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.325   0.490   2.169  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.429  -0.351   2.826  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.673  -1.272   2.099  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 5