REMARK  Name = BDB047169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.951  -0.361  -1.817  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.356  -0.731  -1.359  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -3.117   0.187  -0.470  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -4.391  -0.220  -0.079  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -5.173   0.585   0.759  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -4.674   1.805   1.210  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.401   2.219   0.822  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.913  -1.510  -0.559  0.00  0.00    +0.272 A 
ATOM      9  O   LIG    1       -6.028  -1.908  -0.241  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -4.081  -2.232  -1.378  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1       -4.426  -3.123  -1.720  0.00  0.00    +0.192 HD
ATOM     12  C   LIG    1       -2.622   1.415  -0.017  0.00  0.00    +0.010 A 
ATOM     13  N   LIG    1       -2.833  -1.868  -1.775  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  C   LIG    1        1.992   0.303   0.519  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        1.013   0.476  -0.466  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        0.101  -0.551  -0.749  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        0.206  -1.760  -0.044  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.170  -1.923   0.954  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.056  -0.888   1.247  0.00  0.00    +0.013 A 
BRANCH  14  22
ATOM     20  N   LIG    1        4.248   1.227   0.949  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        4.719   2.115   1.082  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        2.893   1.435   0.823  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        2.426   2.563   0.956  0.00  0.00    -0.270 OA
BRANCH  20  25
ATOM     24  C   LIG    1        6.437   0.148   0.741  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        5.006   0.208   0.241  0.00  0.00    +0.101 C 
ENDBRANCH  20  25
ENDBRANCH  14  22
ENDBRANCH   1  16
TORSDOF 4