REMARK  Name = BDB048107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.656  -0.974  -0.465  0.00  0.00    -0.476 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.554  -0.366  -0.203  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -1.378  -0.878   0.736  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -2.547  -0.228   0.931  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1       -2.938   0.913   0.234  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.059   1.408  -0.732  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -0.848   0.759  -0.955  0.00  0.00    +0.067 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.270   1.570   0.495  0.00  0.00    +0.083 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.455   0.913  -0.235  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -5.599  -0.475   0.174  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -6.957  -0.695   0.590  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -7.768   0.450   0.033  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -6.783   1.591   0.110  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.222   0.958  -1.755  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -5.212   1.974  -2.432  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.027  -0.280  -2.277  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -5.037  -0.934  -1.538  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.914  -2.106   0.370  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.288  -2.682   0.030  0.00  0.00    +0.100 C 
BRANCH  19  22
ATOM     20  C   LIG    1        3.383  -1.753   3.091  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        3.837  -1.458   1.722  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.418  -1.808   0.455  0.00  0.00    +0.086 A 
ATOM     23  N   LIG    1        4.253  -1.231  -0.476  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        5.119  -0.542   0.241  0.00  0.00    +0.228 A 
ATOM     25  O   LIG    1        4.924  -0.640   1.594  0.00  0.00    -0.440 OA
BRANCH  24  26
ATOM     26  C   LIG    1        6.234   0.287  -0.209  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.480   0.425  -1.584  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        7.539   1.211  -2.036  0.00  0.00    +0.042 A 
ATOM     29 CL   LIG    1        7.826   1.370  -3.725  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        8.368   1.871  -1.131  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        8.137   1.743   0.237  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.076   0.956   0.694  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9