REMARK  Name = BDB000473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.510   1.046   2.096  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.628   1.158   1.084  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.739   0.410   1.573  0.00  0.00    -0.488 OA
BRANCH   3   5
ATOM      4  C   LIG    1        3.930  -0.418   1.309  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        2.870   0.353   0.799  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        3.023   1.000  -0.428  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        4.218   0.884  -1.150  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        5.287   0.121  -0.663  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        5.121  -0.525   0.577  0.00  0.00    +0.060 A 
BRANCH   8  10
ATOM     10  C   LIG    1        6.573  -0.038  -1.378  0.00  0.00    +0.109 A 
ATOM     11  S   LIG    1        6.864   0.669  -2.925  0.00  0.00    -0.075 S 
ATOM     12  C   LIG    1        8.440   0.008  -2.940  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        8.663  -0.709  -1.784  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        9.902  -1.437  -1.411  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        7.595  -0.729  -0.903  0.00  0.00    -0.244 NA
ENDBRANCH   8  10
BRANCH   4  17
ATOM     16  C   LIG    1        4.739  -1.847   3.046  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.708  -1.022   2.522  0.00  0.00    -0.491 OA
ENDBRANCH   4  17
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.066  -0.375   2.188  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.627  -0.798   0.944  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.927  -0.484   0.658  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -3.789   0.272   1.453  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -5.081   0.505   0.998  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -6.170   1.247   1.707  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -7.129   1.531   0.546  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -6.982   0.354  -0.448  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1       -5.534  -0.006  -0.225  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -4.692  -0.774  -1.011  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -3.386  -1.001  -0.566  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -7.351   0.788  -1.866  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.610  -0.379  -2.779  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -7.808  -1.540  -2.469  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.646  -0.004  -4.073  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -7.837  -0.836  -4.557  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11