REMARK  Name = BDB049747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.508  -0.722   0.037  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.774  -0.155  -1.211  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.757   0.828  -1.357  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.497   1.263  -0.252  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -2.221   0.695   1.001  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.235  -0.290   1.145  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.475  -1.670   0.027  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.813  -2.337   1.243  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.825  -1.554   2.081  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        4.175  -3.880   1.355  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.103  -2.421   1.174  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.168  -1.444   1.447  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        3.667  -0.218   1.067  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.853  -0.489   0.553  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.184  -1.819   0.594  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.835   0.421  -0.031  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.077  -0.029  -0.504  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.997   0.866  -1.059  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.686   2.221  -1.148  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.457   2.684  -0.684  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.538   1.789  -0.130  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.559   2.327  -0.406  0.00  0.00    +0.072 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.873   1.607  -0.444  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1       -5.516   1.014  -1.589  0.00  0.00    +0.080 A 
ATOM     25  C   LIG    1       -6.707   0.464  -1.130  0.00  0.00    +0.100 A 
ATOM     26  N   LIG    1       -6.809   0.706   0.212  0.00  0.00    -0.355 N 
ATOM     27  C   LIG    1       -7.917   0.306   1.051  0.00  0.00    +0.148 C 
ATOM     28  C   LIG    1       -5.714   1.399   0.639  0.00  0.00    +0.090 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.041   1.005  -2.973  0.00  0.00    +0.339 C 
ATOM     30  O   LIG    1       -4.284   1.844  -3.441  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.506  -0.028  -3.723  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -5.983  -0.673  -3.172  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9