REMARK  Name = BDB016989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.310  -0.481   1.234  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        1.512   0.044   0.846  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.341  -1.048   0.673  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.649  -2.213   0.931  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.439  -1.838   1.278  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.741  -1.001   0.275  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.571  -1.891   0.872  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.880  -1.861   0.545  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.414  -0.989  -0.380  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.539  -0.107  -1.007  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.185  -0.088  -0.671  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.081   0.829  -2.010  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.121   1.443  -1.852  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.323   0.899  -3.123  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.629   0.215  -3.192  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.888   0.267   1.570  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.783   0.484   0.341  0.00  0.00    +0.105 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.882   2.536   1.040  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1       -3.071   1.130   0.666  0.00  0.00    -0.303 NA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.016   1.053  -0.463  0.00  0.00    +0.087 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.549  -0.343  -0.622  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -5.410  -0.967   0.450  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -6.021  -0.577  -0.866  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8