REMARK  Name = BDB000839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.304  -0.272   0.117  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        0.965  -0.503   0.445  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -0.036   0.167  -0.255  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.269   1.043  -1.252  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        1.569   1.251  -1.550  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        2.614   0.625  -0.903  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.477  -0.030   0.040  0.00  0.00    +0.090 A 
ATOM      8  N   LIG    1       -1.781  -0.907   1.037  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -3.080  -1.116   1.338  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -4.125  -0.491   0.692  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -3.813   0.405  -0.328  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -2.478   0.641  -0.660  0.00  0.00    +0.045 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.929   1.080  -1.027  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -6.112   0.923  -0.790  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.512   1.920  -1.989  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -5.340   2.290  -2.361  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  C   LIG    1        3.350  -1.001   0.880  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1        3.105  -1.791   1.778  0.00  0.00    -0.245 OA
BRANCH  17  20
ATOM     19  C   LIG    1        5.649  -1.325   1.125  0.00  0.00    +0.280 C 
ATOM     20  O   LIG    1        4.586  -0.662   0.437  0.00  0.00    -0.464 OA
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5