REMARK  Name = BDB016987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.569  -1.533   1.094  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        1.648  -1.711   0.276  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.493  -0.656   0.556  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.948   0.139   1.545  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.802  -0.423   1.855  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.777  -0.405  -0.084  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.172  -1.284  -1.043  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.359  -1.060  -1.644  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.184   0.005  -1.339  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.762   0.895  -0.353  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.540   0.692   0.287  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.577   2.066   0.043  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.285   2.889   0.890  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.729   2.152  -0.645  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.155   2.958  -0.283  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.581  -2.402   1.194  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.481  -2.448  -0.055  0.00  0.00    +0.106 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -1.548  -0.190  -0.999  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1       -2.314  -1.284  -0.402  0.00  0.00    -0.299 NA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.164  -0.828   0.705  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.308   0.059   0.260  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -5.272  -0.421  -0.639  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.334   0.390  -1.041  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.445   1.689  -0.548  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.494   2.177   0.347  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.431   1.367   0.750  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8