REMARK  Name = BDB023706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.479  -0.745  -0.345  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.041  -0.555  -1.640  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        1.494  -0.517  -1.833  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1        1.887  -1.980  -1.966  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        0.679  -2.593  -2.691  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.431  -1.520  -2.631  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1        0.231  -1.038   0.616  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.326   0.329  -0.872  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        2.644  -0.085   0.404  0.00  0.00    -0.320 N 
ATOM     10  H   LIG    1        1.868  -0.569   0.874  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        3.222   1.068   1.097  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1        2.259   1.624   2.134  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        4.573   0.695   1.686  0.00  0.00    +0.041 C 
ATOM     14  C   LIG    1        3.376   2.048  -0.088  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1        3.948   3.128  -0.040  0.00  0.00    -0.271 OA
ATOM     16  N   LIG    1        2.757   1.516  -1.210  0.00  0.00    -0.166 NA
ENDBRANCH   3   8
BRANCH   5  17
ATOM     17  O   LIG    1        0.249  -3.774  -2.021  0.00  0.00    -0.390 OA
ATOM     18  H   LIG    1        1.015  -4.369  -1.944  0.00  0.00    +0.210 HD
ENDBRANCH   5  17
BRANCH   1  19
ATOM     19  C   LIG    1       -1.986  -0.439  -0.208  0.00  0.00    +0.146 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -3.088   4.530   0.349  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1       -2.568   3.148   0.435  0.00  0.00    +0.081 A 
ATOM     22  N   LIG    1       -1.634   2.836   1.340  0.00  0.00    -0.083 NA
ATOM     23  O   LIG    1       -1.364   1.494   1.153  0.00  0.00    -0.359 OA
ATOM     24  C   LIG    1       -2.139   1.006   0.147  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -2.925   2.023  -0.342  0.00  0.00    +0.071 A 
ENDBRANCH  19  24
BRANCH  19  26
ATOM     26  C   LIG    1       -2.760  -1.374   0.755  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -2.356  -1.304   2.232  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1       -2.697  -2.829   0.275  0.00  0.00    +0.008 C 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5