REMARK  Name = BDB048127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.331   0.763  -1.383  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -2.944  -0.572  -1.472  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1       -1.673  -0.983  -1.667  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -0.740  -0.019  -1.817  0.00  0.00    +0.215 A 
ATOM      5  C   LIG    1       -1.022   1.336  -1.769  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -2.338   1.731  -1.551  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.764   1.143  -1.119  0.00  0.00    +0.083 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.205   1.310   0.362  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1       -4.920   0.057   1.205  0.00  0.00    +0.054 C 
BRANCH   8  11
ATOM     10  C   LIG    1       -7.353   1.639   1.475  0.00  0.00    +0.195 C 
ATOM     11  O   LIG    1       -6.639   1.478   0.255  0.00  0.00    -0.365 OA
ENDBRANCH   8  11
BRANCH   8  12
ATOM     12  C   LIG    1       -4.516   2.579   0.940  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -5.047   3.680   1.005  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -3.243   2.410   1.371  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1       -2.838   1.538   1.206  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.579  -0.360  -2.026  0.00  0.00    -0.476 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.803  -1.771  -2.075  0.00  0.00    +0.237 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.293  -2.037  -2.285  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.116  -1.737  -1.080  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        3.210  -2.418   0.116  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        2.587  -3.626   0.681  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1        4.101  -1.753   0.910  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1        4.516  -0.694   0.145  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1        3.961  -0.649  -1.052  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1        5.491   0.213   0.744  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        5.993   0.016   2.040  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.926   0.902   2.587  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.368   1.996   1.847  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.879   2.207   0.559  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.947   1.321   0.013  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 10