REMARK  Name = BDB048138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.202  -1.408  -0.196  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.801  -0.491  -0.095  0.00  0.00    +0.139 A 
ATOM      3  C   LIG    1       -1.507  -0.483   1.101  0.00  0.00    +0.156 A 
ATOM      4  N   LIG    1       -2.533   0.355   1.385  0.00  0.00    -0.256 NA
ATOM      5  C   LIG    1       -2.903   1.233   0.426  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -2.241   1.307  -0.798  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.182   0.433  -1.060  0.00  0.00    +0.049 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.053   2.159   0.747  0.00  0.00    +0.102 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.449   1.606   0.406  0.00  0.00    +0.171 C 
ATOM     10  O   LIG    1       -5.758   0.470   1.238  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -7.088   0.591   1.752  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -7.731   1.762   1.046  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -6.539   2.635   0.738  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.556   1.235  -1.085  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -5.957   0.187  -1.566  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.210   2.245  -1.917  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -5.378   1.860  -2.804  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        0.925  -1.450  -1.431  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.994  -2.539  -1.338  0.00  0.00    +0.100 C 
BRANCH  19  22
ATOM     20  C   LIG    1        2.486  -2.527   2.001  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        3.322  -2.131   0.855  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.159  -2.117  -0.514  0.00  0.00    +0.086 A 
ATOM     23  N   LIG    1        4.296  -1.614  -1.107  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        5.099  -1.345  -0.095  0.00  0.00    +0.228 A 
ATOM     25  O   LIG    1        4.565  -1.636   1.133  0.00  0.00    -0.440 OA
BRANCH  24  26
ATOM     26  C   LIG    1        6.450  -0.789  -0.112  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        7.057  -0.482  -1.341  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        8.349   0.051  -1.391  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        9.046   0.283  -0.208  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       10.635   0.939  -0.266  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        8.463  -0.014   1.022  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        7.171  -0.547   1.069  0.00  0.00    +0.014 A 
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9