REMARK  Name = BDB003353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.909  -0.851  -0.728  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -2.846  -0.122  -0.730  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.294  -0.889   0.359  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -2.352  -1.607   1.106  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -0.997  -1.590   0.758  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.553  -0.861  -0.351  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.491  -0.130  -1.089  0.00  0.00    +0.054 A 
BRANCH   3   8
ATOM      8  O   LIG    1       -4.639  -0.900   0.616  0.00  0.00    -0.491 OA
ATOM      9  C   LIG    1       -5.114  -1.782   1.625  0.00  0.00    +0.277 C 
ENDBRANCH   3   8
BRANCH   2  10
ATOM     10  O   LIG    1       -3.632   0.633  -1.565  0.00  0.00    -0.489 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -4.912   2.630  -1.776  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -4.648   1.403  -0.920  0.00  0.00    +0.226 C 
ENDBRANCH  10  12
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  13
ATOM     13  N   LIG    1        1.656  -0.107   0.277  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1        1.154   0.721   0.589  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.017   0.157   0.075  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        3.835  -0.629  -0.753  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        5.200  -0.317  -0.828  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1        5.783   0.710  -0.098  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        7.146   0.675  -0.463  0.00  0.00    +0.142 A 
ATOM     20  N   LIG    1        7.419  -0.287  -1.349  0.00  0.00    -0.181 NA
ATOM     21  C   LIG    1        4.982   1.470   0.765  0.00  0.00    +0.013 A 
ATOM     22  N   LIG    1        6.225  -0.876  -1.544  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        6.176  -1.658  -2.186  0.00  0.00    +0.189 HD
ATOM     24  C   LIG    1        3.613   1.169   0.846  0.00  0.00    +0.024 A 
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 6