REMARK  Name = BDB048762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.464  -0.899  -2.276  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.841  -1.534  -2.470  0.00  0.00    +0.100 C 
BRANCH   2   5
ATOM      3  C   LIG    1        2.388  -2.402   0.745  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1        3.029  -1.436  -0.163  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        2.834  -1.051  -1.473  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1        3.741  -0.068  -1.802  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1        4.444   0.109  -0.698  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1        4.060  -0.696   0.342  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.552   1.028  -0.448  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        6.192   1.100   0.800  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        7.250   1.991   1.011  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        7.677   2.818  -0.025  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        8.977   3.913   0.235  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        7.056   2.763  -1.270  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        5.998   1.872  -1.478  0.00  0.00    +0.014 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.177  -1.524  -1.161  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.414  -1.057  -0.806  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -1.968  -1.683   0.314  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -3.216  -1.279   0.761  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -4.000  -1.836   1.907  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -5.017  -0.712   2.138  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.272  -0.058   0.758  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -3.929  -0.270   0.105  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -3.398   0.345  -1.017  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -2.131  -0.048  -1.468  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -5.702   1.404   0.863  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -7.071   1.542   1.469  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -7.880   0.658   1.688  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -7.368   2.826   1.751  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -8.275   2.787   2.123  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8