REMARK  Name = BDB056714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.727  -0.943   1.076  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.565  -1.282   0.372  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.373  -0.669   0.783  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.321   0.225   1.848  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.958   0.680   2.044  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.696   0.105   1.113  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.493   0.534   2.554  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.927  -0.739   0.338  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.394  -1.546  -0.764  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.696  -0.065   2.162  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.890  -1.585   0.718  0.00  0.00    -0.438 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -5.370   2.550  -1.230  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -5.687   1.183  -0.701  0.00  0.00    +0.042 A 
ATOM     14  N   LIG    1       -4.655   0.446  -0.236  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -4.933  -0.785   0.255  0.00  0.00    +0.224 A 
ATOM     16  C   LIG    1       -6.212  -1.339   0.284  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -6.460  -2.715   0.818  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -7.260  -0.556  -0.206  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -6.998   0.719  -0.702  0.00  0.00    +0.023 A 
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        3.167   0.305   0.931  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.378   0.705  -0.424  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.667   0.945  -0.810  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.805   0.799  -0.016  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        7.074   1.077  -0.547  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.202   1.502  -1.875  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.065   1.649  -2.668  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.806   1.370  -2.135  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        8.253   0.902   0.336  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        8.225   0.509   1.487  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        9.411   1.227  -0.265  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       10.088   1.070   0.427  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7