REMARK  Name = BDB028480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.509  -0.897   1.299  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.164  -1.756   0.745  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -1.362  -2.193   1.244  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -2.131  -1.571   2.313  0.00  0.00    +0.123 C 
ATOM      5  C   LIG    1       -3.366  -2.279   1.743  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -2.518  -2.755   0.562  0.00  0.00    +0.123 C 
ATOM      7  N   LIG    1        0.181  -2.358  -0.441  0.00  0.00    -0.297 N 
ATOM      8  H   LIG    1       -0.192  -3.293  -0.533  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.676  -1.516   1.505  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1       -4.653  -0.203   1.058  0.00  0.00    -0.291 N 
ATOM     11  C   LIG    1       -3.736   0.405   0.095  0.00  0.00    +0.102 C 
ATOM     12  C   LIG    1       -4.262   0.078  -1.329  0.00  0.00    +0.182 C 
ATOM     13  O   LIG    1       -5.588   0.605  -1.543  0.00  0.00    -0.376 OA
ATOM     14  C   LIG    1       -6.493   0.233  -0.478  0.00  0.00    +0.182 C 
ATOM     15  C   LIG    1       -3.924   1.899   0.399  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1       -5.363   2.002   0.943  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1       -5.890   0.561   0.909  0.00  0.00    +0.102 C 
ATOM     18  O   LIG    1       -5.767  -2.046   1.773  0.00  0.00    -0.275 OA
ENDBRANCH   5   9
BRANCH   7  19
ATOM     19  C   LIG    1        1.494  -2.144  -1.052  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.510  -0.980  -2.063  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.268  -0.964  -2.788  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.410  -1.178  -2.121  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        1.751   0.407  -1.432  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.050   0.532  -0.749  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.163   0.665  -1.709  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.500   0.958  -1.056  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.568   1.491   0.243  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.815   1.783   0.812  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.987   1.571   0.087  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.923   1.061  -1.208  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.304   1.684   1.042  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.686   0.760  -1.779  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.046   1.687   0.163  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 6