REMARK  Name = BDB022109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.052   0.697   0.939  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -2.448   0.801   2.291  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.836  -0.535   2.752  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -0.902  -1.071   1.759  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1        0.458  -1.098   2.074  0.00  0.00    +0.250 C 
ATOM      6  O   LIG    1        0.888  -0.693   3.151  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.397  -1.059   0.372  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -2.859  -0.580   0.237  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -5.364   1.087   0.065  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1       -4.167   1.507   0.691  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -4.102   2.867   1.065  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.166   3.754   0.871  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.344   3.302   0.296  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.446   1.971  -0.097  0.00  0.00    +0.047 A 
BRANCH   9  15
ATOM     15  O   LIG    1       -5.537  -0.234  -0.277  0.00  0.00    -0.490 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -7.213  -1.237  -1.675  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1       -5.924  -0.436  -1.642  0.00  0.00    +0.226 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1        1.369  -1.629   1.071  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1        2.579  -1.077   0.667  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        3.230   0.189   1.100  0.00  0.00    +0.066 C 
ATOM     21  N   LIG    1        3.125  -1.953  -0.274  0.00  0.00    -0.202 N 
ATOM     22  N   LIG    1        2.294  -3.021  -0.484  0.00  0.00    -0.171 NA
ATOM     23  C   LIG    1        1.278  -2.832   0.351  0.00  0.00    +0.148 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.380  -1.846  -0.990  0.00  0.00    +0.252 A 
ATOM     25  N   LIG    1        5.176  -0.784  -0.745  0.00  0.00    -0.208 NA
ATOM     26  C   LIG    1        6.340  -0.718  -1.427  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.730  -1.671  -2.342  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        5.858  -2.712  -2.527  0.00  0.00    +0.117 A 
ATOM     29  N   LIG    1        4.690  -2.823  -1.873  0.00  0.00    -0.219 NA
BRANCH  26  30
ATOM     30  C   LIG    1        7.156   0.449  -1.117  0.00  0.00    +0.153 A 
ATOM     31  O   LIG    1        8.337   0.577  -1.797  0.00  0.00    -0.461 OA
ATOM     32  C   LIG    1        8.932   1.718  -1.361  0.00  0.00    +0.196 A 
ATOM     33  C   LIG    1        8.155   2.332  -0.408  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        7.010   1.516  -0.250  0.00  0.00    +0.051 A 
ENDBRANCH  26  30
ENDBRANCH  21  24
ENDBRANCH   5  18
TORSDOF 6