REMARK  Name = BDB048791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.445   1.281  -0.409  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.629   2.225  -0.597  0.00  0.00    +0.100 C 
BRANCH   2   5
ATOM      3  C   LIG    1        3.403   3.228   2.085  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1        3.571   2.132   1.116  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        2.873   1.693   0.011  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1        3.509   0.596  -0.526  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1        4.559   0.413   0.252  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1        4.656   1.317   1.277  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.604  -0.604   0.166  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        6.660  -0.667   1.088  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        7.648  -1.653   0.981  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        7.593  -2.593  -0.052  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        6.547  -2.542  -0.977  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        5.562  -1.554  -0.867  0.00  0.00    +0.014 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.605  -3.603  -0.162  0.00  0.00    +0.099 C 
ATOM     16  N   LIG    1        9.424  -4.421  -0.249  0.00  0.00    -0.191 NA
ENDBRANCH  12  15
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -0.721   1.923  -0.933  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.898   1.228  -0.856  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -2.060  -0.051  -0.322  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -3.331  -0.611  -0.315  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -3.720  -1.975   0.163  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -5.236  -1.810   0.318  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -5.678  -0.780  -0.749  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1       -4.436   0.073  -0.836  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1       -4.283   1.334  -1.385  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -3.008   1.910  -1.384  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.938  -0.013  -0.348  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -8.161  -0.897  -0.327  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1       -8.214  -2.042  -0.748  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -9.239  -0.272   0.201  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -9.064   0.644   0.489  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9