REMARK  Name = BDB007559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.407   0.637  -2.526  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.351   0.376  -1.597  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.072   0.293  -0.288  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.546  -0.149   0.380  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.791   0.105  -1.855  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.775   0.337  -0.887  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -4.122   0.073  -1.162  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -4.480  -0.420  -2.417  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.503  -0.637  -3.393  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.163  -0.371  -3.116  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -4.966   0.340  -0.122  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.380   0.166  -0.294  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -7.076   1.095   0.711  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1       -7.364   0.353   2.007  0.00  0.00    +0.163 C 
ATOM     15  O   LIG    1       -8.252  -0.749   1.815  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -8.143  -1.406   0.553  0.00  0.00    +0.163 C 
ATOM     17  C   LIG    1       -6.752  -1.301  -0.046  0.00  0.00    +0.072 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.484   0.378   0.082  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.104   1.765  -0.160  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.497   1.934  -1.527  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.779   1.553  -2.081  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.302   2.091   0.777  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.542   1.297   0.773  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.465   0.030   1.504  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.769  -0.742   1.509  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.756  -0.493   0.539  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.939  -1.245   0.540  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.130  -2.255   1.482  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.146  -2.518   2.433  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.572   0.628  -0.454  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.970  -1.767   2.445  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        5.114   1.098  -0.562  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8