REMARK  Name = BDB000448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.056   1.409  -0.599  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.944   1.829   0.330  0.00  0.00    -0.492 OA
BRANCH   2   7
ATOM      3  C   LIG    1       -6.149  -0.331   0.516  0.00  0.00    +0.030 C 
ATOM      4  C   LIG    1       -4.734   0.130   0.270  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -4.368   1.110   1.198  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -3.094   1.657   1.200  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -2.168   1.222   0.247  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.534   0.235  -0.682  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -5.487   1.401   2.147  0.00  0.00    +0.036 C 
ATOM     10  C   LIG    1       -3.820  -0.321  -0.669  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -6.684   0.847   1.364  0.00  0.00    +0.013 C 
BRANCH   3  12
ATOM     12  C   LIG    1       -6.966  -0.570  -0.752  0.00  0.00    +0.128 C 
BRANCH  12  14
ATOM     13  O   LIG    1       -8.772  -1.465   0.633  0.00  0.00    -0.251 OA
ATOM     14  C   LIG    1       -8.343  -1.089  -0.443  0.00  0.00    +0.305 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -9.122  -1.131  -1.542  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1       -9.975  -1.490  -1.219  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   3  12
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.336   2.198  -0.325  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.943   1.869   1.039  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.303   0.490   1.134  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.530   0.089   0.694  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.800  -1.266   0.893  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        5.017  -1.823   0.489  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        6.000  -1.037  -0.130  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        5.714   0.324  -0.329  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.494   0.882   0.079  0.00  0.00    +0.046 A 
BRANCH  23  26
ATOM     26  C   LIG    1        7.279  -1.615  -0.555  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        8.063  -2.409   0.266  0.00  0.00    +0.122 A 
ATOM     28  N   LIG    1        9.244  -2.958  -0.095  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        9.652  -2.686  -1.342  0.00  0.00    +0.221 A 
ATOM     30  N   LIG    1        8.996  -1.935  -2.237  0.00  0.00    -0.243 NA
ATOM     31  C   LIG    1        7.820  -1.419  -1.816  0.00  0.00    +0.122 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10