REMARK  Name = BDB049624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.711   0.334   0.194  0.00  0.00    +0.196 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        5.077  -2.097   0.510  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1        3.788  -1.620   0.763  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1        3.084  -2.022   1.888  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.839  -1.354   1.872  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        1.788  -0.564   0.734  0.00  0.00    +0.052 A 
ATOM      7  N   LIG    1        3.576  -2.904   2.790  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.804  -3.385   2.509  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1        2.981  -0.748   0.069  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1        3.249  -0.312  -0.808  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1        5.581  -3.032   1.415  0.00  0.00    +0.037 A 
BRANCH   2  13
ATOM     12  O   LIG    1        5.217  -1.260  -1.700  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.798  -1.643  -0.697  0.00  0.00    +0.339 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.139  -1.648  -0.573  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.471  -1.747   0.339  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   2  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1        1.220   1.674  -0.310  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        1.791   2.660   0.513  0.00  0.00    +0.047 A 
ATOM     18 CL   LIG    1        1.994   2.461   2.218  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        2.244   3.868  -0.033  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.139   4.111  -1.401  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.580   3.147  -2.232  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        1.126   1.941  -1.693  0.00  0.00    +0.008 A 
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  O   LIG    1       -0.244   0.541   1.235  0.00  0.00    -0.365 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.547   0.025   0.958  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.320   0.929  -0.021  0.00  0.00    +0.112 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.719   0.578  -0.319  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1       -3.852  -0.743  -0.945  0.00  0.00    +0.090 C 
ATOM     28  C   LIG    1       -5.283  -0.959  -1.420  0.00  0.00    +0.091 C 
ATOM     29  C   LIG    1       -6.245  -0.768  -0.268  0.00  0.00    +0.251 C 
ATOM     30  F   LIG    1       -6.086  -1.787   0.619  0.00  0.00    -0.206 F 
ATOM     31  F   LIG    1       -7.521  -0.858  -0.721  0.00  0.00    -0.206 F 
ATOM     32  C   LIG    1       -6.051   0.550   0.448  0.00  0.00    +0.091 C 
ATOM     33  C   LIG    1       -4.591   0.713   0.854  0.00  0.00    +0.090 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8