REMARK  Name = BDB010794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.588   0.103   0.013  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.659   1.075  -0.359  0.00  0.00    +0.128 A 
ATOM      3  C   LIG    1       -1.073   2.190  -1.071  0.00  0.00    +0.184 A 
ATOM      4  N   LIG    1       -0.044   3.048  -1.315  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1        1.016   2.472  -0.794  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1       -2.336   2.412  -1.468  0.00  0.00    -0.203 NA
ATOM      7  C   LIG    1       -3.154   1.415  -1.106  0.00  0.00    +0.203 A 
ATOM      8  N   LIG    1        0.704   1.250  -0.239  0.00  0.00    -0.323 N 
ATOM      9  N   LIG    1       -2.850   0.305  -0.408  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -4.566   1.579  -1.519  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -4.920   2.667  -2.223  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1       -4.320   3.420  -2.520  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1       -6.234   2.568  -2.459  0.00  0.00    +0.440 A 
ATOM     14  O   LIG    1       -6.916   3.372  -3.072  0.00  0.00    -0.221 OA
ATOM     15  O   LIG    1       -6.690   1.403  -1.893  0.00  0.00    -0.295 OA
ATOM     16  N   LIG    1       -5.554   0.779  -1.280  0.00  0.00    -0.051 NA
ENDBRANCH   7  10
BRANCH   5  17
ATOM     17  C   LIG    1        2.427   3.142  -0.841  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1        3.186   3.137  -2.142  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        2.603   4.419  -1.625  0.00  0.00    +0.012 C 
ENDBRANCH   5  17
BRANCH   1  20
ATOM     20  N   LIG    1       -1.256  -1.013   0.764  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -0.592  -0.790   1.493  0.00  0.00    +0.148 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -2.925  -2.724   0.068  0.00  0.00    +0.028 C 
ATOM     23  C   LIG    1       -2.273  -1.970   1.226  0.00  0.00    +0.072 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.321  -1.354   2.153  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -2.795  -0.721   3.473  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.069  -1.257   4.154  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -4.111  -2.341   3.059  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  20
BRANCH   8  28
ATOM     28  C   LIG    1        1.650   0.327   0.367  0.00  0.00    +0.127 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.906  -0.948  -0.470  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        2.459  -2.092   0.407  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        3.943  -2.399   0.193  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        4.752  -1.125  -0.041  0.00  0.00    -0.014 C 
ATOM     33  C   LIG    1        6.248  -1.424  -0.122  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        4.272  -0.388  -1.301  0.00  0.00    +0.003 C 
ATOM     35  C   LIG    1        2.818  -0.685  -1.676  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 7