REMARK  Name = BDB009194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.766  -2.056  -0.038  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.505  -2.311   0.494  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.618  -2.420  -0.352  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.427  -2.321  -1.738  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.155  -2.101  -2.270  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.944  -1.973  -1.423  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.901  -1.008   0.707  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -3.726  -1.235   1.249  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -1.911  -1.944   0.893  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -2.009  -2.765   1.805  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -4.127   0.879  -0.240  0.00  0.00    -0.024 A 
ATOM     12  C   LIG    1       -2.894   0.255   0.074  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -1.695   0.940  -0.171  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -1.694   2.214  -0.739  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.896   2.834  -1.046  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.099   2.178  -0.789  0.00  0.00    +0.006 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.044   0.616   1.357  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -5.471   0.194   0.002  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -6.503   0.428  -1.110  0.00  0.00    +0.012 C 
ENDBRANCH  11  18
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        2.993  -2.674   0.222  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.027  -1.639  -0.213  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        3.999  -0.265   0.381  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        3.005   0.102   1.447  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        3.344   1.409   2.170  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        3.770   2.486   1.181  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.995   2.040   0.380  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        4.908   0.612  -0.083  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.894   0.190  -1.109  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        6.744   0.960  -1.544  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        5.800  -1.108  -1.531  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        6.465  -1.417  -2.232  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        4.885  -2.021  -1.113  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5