REMARK  Name = BDB047433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.216  -0.315   0.364  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -1.020  -1.373  -0.081  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -2.341  -1.084   0.283  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -3.356  -2.017  -0.026  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.047  -3.183  -0.730  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.744  -3.427  -1.139  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.318   0.182   0.926  0.00  0.00    +0.168 A 
ATOM      8  C   LIG    1       -0.718  -2.529  -0.832  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -1.011   0.611   1.031  0.00  0.00    +0.175 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.964   0.072  -0.388  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1        3.084   1.162  -0.544  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        1.713   1.041  -0.295  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.183  -0.185   0.113  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        2.035  -1.279   0.278  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.408  -1.147   0.030  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.048   1.331   0.265  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        5.467   0.248  -0.670  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1        5.673   0.680  -2.137  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        6.298  -1.037  -0.452  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   9  20
ATOM     20  C   LIG    1       -0.563   1.773   1.737  0.00  0.00    +0.358 C 
ATOM     21  O   LIG    1       -1.035   2.899   1.711  0.00  0.00    -0.243 OA
BRANCH  20  22
ATOM     22  O   LIG    1        0.486   1.493   2.537  0.00  0.00    -0.476 OA
ATOM     23  H   LIG    1        0.668   2.346   2.979  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   9  20
BRANCH   7  24
ATOM     24  O   LIG    1       -3.339   0.875   1.484  0.00  0.00    -0.453 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.564   0.954   0.869  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1       -5.694   0.793   1.669  0.00  0.00    +0.091 A 
ATOM     27  C   LIG    1       -6.956   0.891   1.094  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1       -7.105   1.163  -0.264  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1       -5.971   1.346  -1.057  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -4.699   1.250  -0.491  0.00  0.00    +0.046 A 
BRANCH  27  31
ATOM     31  O   LIG    1       -8.038   0.714   1.904  0.00  0.00    -0.507 OA
ATOM     32  H   LIG    1       -8.844   0.840   1.378  0.00  0.00    +0.292 HD
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 7