REMARK  Name = BDB054341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.741  -1.748  -0.332  0.00  0.00    +0.001 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.508  -0.734   0.525  0.00  0.00    +0.008 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -5.256   0.673   0.471  0.00  0.00    +0.270 C 
ATOM      4  O   LIG    1       -4.987  -0.118   1.643  0.00  0.00    -0.340 OA
ATOM      5  C   LIG    1       -3.586  -0.254   1.850  0.00  0.00    +0.169 C 
ATOM      6  C   LIG    1       -2.988  -1.113   0.732  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -3.847  -0.959  -0.525  0.00  0.00    +0.169 C 
ATOM      8  O   LIG    1       -4.361   0.365  -0.607  0.00  0.00    -0.340 OA
BRANCH   3  10
ATOM      9  C   LIG    1       -7.127   1.033  -1.257  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1       -6.701   0.353   0.038  0.00  0.00    +0.074 C 
ENDBRANCH   3  10
BRANCH   3  11
ATOM     11  C   LIG    1       -5.159   2.193   0.827  0.00  0.00    +0.365 C 
ATOM     12  O   LIG    1       -4.469   3.041   0.277  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -5.928   2.557   1.881  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -5.732   3.511   1.990  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   3  11
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.720  -1.354  -0.573  0.00  0.00    +0.006 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.579  -1.392   0.693  0.00  0.00    +0.059 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.011  -1.114   0.403  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        4.029  -1.983   0.077  0.00  0.00    +0.126 A 
ATOM     19  C   LIG    1        4.140  -3.439  -0.109  0.00  0.00    +0.088 C 
ATOM     20  O   LIG    1        5.169  -1.249  -0.096  0.00  0.00    -0.440 OA
ATOM     21  C   LIG    1        4.778   0.046   0.133  0.00  0.00    +0.228 A 
ATOM     22  N   LIG    1        3.499   0.173   0.434  0.00  0.00    -0.214 NA
BRANCH  21  23
ATOM     23  C   LIG    1        5.805   1.077   0.014  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        5.464   2.422   0.227  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        6.425   3.431   0.119  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        7.741   3.108  -0.202  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.097   1.778  -0.417  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.136   0.769  -0.310  0.00  0.00    +0.013 A 
ENDBRANCH  21  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9