REMARK  Name = BDB009176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.066   2.105  -0.792  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.116   1.465  -1.464  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.400   2.031  -1.491  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.603   3.266  -0.855  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.563   3.899  -0.173  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.296   3.318  -0.133  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.346   0.227  -0.786  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.270   1.449  -0.775  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.357   2.297  -0.769  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.211   3.286  -0.908  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.728   1.812  -0.791  0.00  0.00    +0.106 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.388   1.913   0.585  0.00  0.00    +0.034 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.058   0.732   1.505  0.00  0.00    +0.086 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.669  -0.519   1.050  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        4.092  -1.685   1.720  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        5.070  -2.796   1.373  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        6.401  -2.092   1.134  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1        6.106  -0.608   1.306  0.00  0.00    +0.084 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -3.542   1.377  -2.237  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.597  -0.142  -2.108  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.166  -0.760  -0.869  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.655   0.095   0.266  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.915  -0.693   1.554  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.625  -2.009   1.265  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.797  -2.879   0.316  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.216  -2.103  -0.833  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.691  -2.900  -1.970  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.711  -4.126  -1.964  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -3.191  -2.182  -3.023  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -2.817  -2.707  -3.806  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.143  -0.827  -3.116  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7