REMARK  Name = BDB057236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.322  -2.083  -0.899  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -1.471  -1.448  -0.400  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.324  -0.716  -1.241  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -2.004  -0.624  -2.602  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.858  -1.244  -3.108  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.019  -1.966  -2.260  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.503  -0.074  -0.673  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -3.771  -0.070   0.696  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -4.893   0.589   0.802  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -5.797   1.013   1.887  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -6.674   2.068   1.163  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -6.588   1.735  -0.339  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -5.349   0.994  -0.411  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -4.497   0.601  -1.373  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  C   LIG    1        0.598  -2.836   0.026  0.00  0.00    +0.139 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.902  -1.973  -0.086  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1        1.656  -1.974   0.503  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        1.366  -1.161   1.028  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        3.238  -2.754  -0.970  0.00  0.00    -0.270 OA
BRANCH  16  23
ATOM     20  C   LIG    1        5.702   1.037   1.175  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        5.782   0.474  -0.098  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        4.864  -0.507  -0.491  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        3.853  -0.926   0.381  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.781  -0.372   1.664  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        4.701   0.607   2.051  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.574   2.462   0.836  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.531   1.998   1.684  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  16  23
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 5