REMARK  Name = BDB049623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.703  -0.399   0.152  0.00  0.00    +0.196 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.062   2.025   0.589  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1       -3.781   1.519   0.826  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -3.099   1.816   1.997  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -1.858   1.143   1.949  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -1.786   0.456   0.747  0.00  0.00    +0.052 A 
ATOM      7  N   LIG    1       -3.607   2.618   2.962  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -4.827   3.131   2.699  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1       -2.964   0.707   0.074  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -3.214   0.352  -0.843  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -5.582   2.880   1.562  0.00  0.00    +0.037 A 
BRANCH   2  13
ATOM     12  O   LIG    1       -5.161   1.392  -1.690  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.760   1.684  -0.667  0.00  0.00    +0.339 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -7.104   1.683  -0.568  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.452   1.698   0.342  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   2  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.207  -1.693  -0.466  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -1.804  -2.736   0.265  0.00  0.00    +0.047 A 
ATOM     18 CL   LIG    1       -2.049  -2.667   1.975  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -2.250  -3.895  -0.384  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.110  -4.033  -1.763  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -1.524  -3.012  -2.503  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.078  -1.855  -1.862  0.00  0.00    +0.008 A 
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  O   LIG    1        0.236  -0.696   1.187  0.00  0.00    -0.365 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.531  -0.126   0.991  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.343  -0.908  -0.060  0.00  0.00    +0.112 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.730  -0.483  -0.305  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1        3.827   0.892  -0.806  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1        5.263   1.217  -1.220  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        6.239   0.979  -0.072  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        6.061  -0.424   0.498  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        4.599  -0.699   0.857  0.00  0.00    +0.084 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8