REMARK  Name = BDB062856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.042   1.036  -0.446  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.469  -0.111  -0.420  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -0.071  -1.116   0.348  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.234  -2.074   0.204  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.596  -0.518  -1.282  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.833   0.112  -1.244  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.401   1.178  -0.429  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        4.731   1.405  -0.829  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        5.042   0.465  -1.921  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        6.094   0.359  -2.515  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        5.562   2.349  -0.254  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        5.032   3.109   0.785  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.708   2.904   1.213  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.889   1.936   0.611  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.822  -0.335  -2.143  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        3.644  -1.362  -3.054  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.400  -1.986  -3.077  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.383  -1.569  -2.201  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1       -1.293  -0.920   1.112  0.00  0.00    +0.124 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.556  -0.844   0.234  0.00  0.00    +0.144 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.742  -0.378   1.067  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1       -4.215   0.936   0.925  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.303   1.382   1.677  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.926   0.524   2.581  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.458  -0.778   2.740  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.369  -1.228   1.992  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.807  -2.173  -0.473  0.00  0.00    +0.314 C 
ATOM     28  O   LIG    1       -2.002  -3.094  -0.534  0.00  0.00    -0.250 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -4.005  -2.248  -1.104  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -4.571  -1.460  -0.974  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6