REMARK  Name = BDB046761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.516   0.621  -0.460  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -1.117   0.677  -0.545  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.307   0.040   0.406  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.921  -0.683   1.453  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1       -0.128  -1.405   2.511  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1       -2.324  -0.735   1.528  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -3.117  -0.088   0.581  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        1.107   0.076   0.344  0.00  0.00    -0.282 N 
ATOM      9  H   LIG    1        1.596  -0.461   1.046  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        1.893   0.833  -0.498  0.00  0.00    +0.241 C 
ATOM     11  O   LIG    1        1.534   1.697  -1.285  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1        3.347   0.589  -0.334  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1        3.860  -0.645  -0.237  0.00  0.00    +0.096 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.312  -0.805  -0.134  0.00  0.00    +0.330 C 
ATOM     15  O   LIG    1        6.152   0.071  -0.090  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1        5.625  -2.108  -0.075  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        6.604  -2.115  -0.022  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  10  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     18  C   LIG    1       -4.785   1.583  -1.231  0.00  0.00    +0.091 C 
ATOM     19  C   LIG    1       -3.328   1.310  -1.505  0.00  0.00    +0.160 C 
ATOM     20  O   LIG    1       -2.815   1.631  -2.574  0.00  0.00    -0.292 OA
ENDBRANCH   1  19
TORSDOF 5