REMARK  Name = BDB058749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.110  -1.280  -1.224  0.00  0.00    +0.157 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -4.401  -0.627   2.542  0.00  0.00    +0.046 C 
ATOM      3  C   LIG    1       -3.635  -0.432   1.279  0.00  0.00    -0.022 A 
ATOM      4  C   LIG    1       -3.818   0.618   0.327  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.892   0.427  -0.701  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -2.812   1.304  -1.798  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -3.693   2.389  -1.849  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -4.629   2.600  -0.837  0.00  0.00    +0.060 A 
ATOM      9  N   LIG    1       -2.163  -0.707  -0.383  0.00  0.00    -0.339 N 
ATOM     10  C   LIG    1       -4.698   1.721   0.253  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -2.612  -1.243   0.809  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.026  -2.471   1.421  0.00  0.00    +0.064 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.574   3.743  -0.867  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -6.417   3.997  -0.027  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.421   4.522  -1.954  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -6.100   5.218  -1.835  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   1   9
BRANCH   1  17
ATOM     17  C   LIG    1        0.280  -1.028  -0.689  0.00  0.00    -0.028 A 
ATOM     18  C   LIG    1        1.186  -2.091  -0.570  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        2.486  -1.874  -0.101  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.919  -0.587   0.251  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1        2.013   0.475   0.121  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        0.714   0.260  -0.348  0.00  0.00    +0.006 A 
BRANCH  20  23
ATOM     23  C   LIG    1        4.281  -0.361   0.760  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        5.441  -0.550  -0.018  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1        6.719  -0.401   0.542  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.859  -0.027   1.876  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.727   0.191   2.655  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.453   0.022   2.104  0.00  0.00    +0.009 A 
BRANCH  24  29
ATOM     29  C   LIG    1        5.390  -0.925  -1.444  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        6.010  -1.834  -1.963  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        4.636  -0.072  -2.158  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        4.694  -0.405  -3.077  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 7