REMARK  Name = BDB031629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.405  -2.024   0.652  0.00  0.00    +0.218 C 
ATOM      2  N   LIG    1       -1.532  -1.065  -0.334  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -0.724  -0.455  -0.445  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -2.033  -3.080   0.640  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.274  -1.354  -1.558  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -1.939  -0.250  -2.568  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -0.793  -0.061  -2.973  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -2.940   0.632  -2.885  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -2.660   1.388  -3.496  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.015   0.925  -2.087  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -4.599   2.000  -2.188  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.374  -0.090  -1.029  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.787  -1.454  -1.355  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1       -0.489  -1.647   1.806  0.00  0.00    +0.131 C 
BRANCH  14  17
ATOM     15  C   LIG    1        2.611   0.534   1.260  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        1.336   0.104   1.657  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        0.889  -1.198   1.380  0.00  0.00    -0.037 A 
ATOM     18  C   LIG    1        1.741  -2.079   0.704  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.007  -1.658   0.304  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.439  -0.358   0.579  0.00  0.00    +0.023 A 
BRANCH  15  23
ATOM     21  C   LIG    1        4.192   3.916   1.809  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1        4.173   2.493   1.308  0.00  0.00    +0.214 C 
ATOM     23  N   LIG    1        2.974   1.859   1.580  0.00  0.00    -0.286 N 
ATOM     24  H   LIG    1        2.280   2.400   2.079  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        5.155   2.012   0.755  0.00  0.00    -0.276 OA
ENDBRANCH  15  23
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4