REMARK  Name = BDB061330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.852  -0.542   2.571  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -3.924   0.825   2.848  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -2.864   1.671   2.513  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.709   1.164   1.912  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.618  -0.206   1.664  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.681  -1.053   2.002  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -5.820  -1.681   2.123  0.00  0.00    -0.149 NA
ATOM      8  N   LIG    1       -4.904  -1.402   2.941  0.00  0.00    -0.149 NA
BRANCH   7  12
ATOM      9  C   LIG    1       -5.846  -0.108  -1.807  0.00  0.00    -0.045 A 
ATOM     10  C   LIG    1       -6.447   0.593  -0.751  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -6.435   0.074   0.547  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -5.807  -1.143   0.822  0.00  0.00    +0.086 A 
ATOM     13  C   LIG    1       -5.237  -1.861  -0.234  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -5.247  -1.347  -1.533  0.00  0.00    +0.006 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.448   0.715  -3.738  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -5.864   0.476  -3.208  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -6.667  -0.402  -4.171  0.00  0.00    +0.012 C 
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  O   LIG    1       -0.755   2.103   1.641  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.421   1.706   0.932  0.00  0.00    +0.233 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.504   1.235   1.903  0.00  0.00    +0.076 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.768   0.834   1.188  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        2.958  -0.490   0.769  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.119  -0.854   0.086  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.107   0.096  -0.160  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1        4.912   1.423   0.209  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.750   1.790   0.892  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  O   LIG    1        6.211  -0.267  -0.875  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.383  -0.625  -0.108  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1        8.097   0.627   0.419  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        7.132  -1.623   1.031  0.00  0.00    +0.067 C 
BRANCH  28  31
ATOM     31  C   LIG    1        8.306  -1.318  -1.123  0.00  0.00    +0.348 C 
ATOM     32  O   LIG    1        9.471  -1.043  -1.367  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.721  -2.352  -1.771  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        8.411  -2.662  -2.393  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 11