REMARK  Name = BDB029493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.274  -0.453   0.649  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -0.716   0.147  -0.612  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -2.243  -0.030  -0.559  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -2.858  -0.051  -1.946  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -2.216  -0.167  -2.985  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.228   0.044  -1.988  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -4.612   0.030  -2.925  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.995   0.747  -1.096  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.106   1.165  -1.412  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.422   0.948   0.285  0.00  0.00    +0.097 C 
ATOM     11  C   LIG    1       -2.907   1.097   0.250  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -2.360  -1.413   0.104  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -1.216  -1.456   1.121  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        3.240   0.198   0.384  0.00  0.00    +0.150 A 
ATOM     15  N   LIG    1        1.907   0.188   0.117  0.00  0.00    -0.225 NA
ATOM     16  C   LIG    1        1.071  -0.478   0.937  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        1.568  -1.132   2.064  0.00  0.00    +0.044 A 
ATOM     18  C   LIG    1        2.935  -1.122   2.338  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        3.792  -0.447   1.482  0.00  0.00    +0.035 A 
BRANCH  14  20
ATOM     20  C   LIG    1        4.082   0.966  -0.593  0.00  0.00    +0.357 C 
ATOM     21  O   LIG    1        3.652   1.583  -1.556  0.00  0.00    -0.243 OA
BRANCH  20  23
ATOM     22  C   LIG    1        6.271   1.583  -1.139  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        5.399   0.878  -0.253  0.00  0.00    -0.463 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH   1  16
TORSDOF 3