REMARK  Name = BDB000474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.386   0.011   0.631  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.364  -1.278   0.296  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -1.433  -1.039  -0.621  0.00  0.00    -0.492 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.286   0.131   0.571  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -4.933  -0.112  -0.765  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -3.636  -0.501  -1.114  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.653  -0.661  -0.138  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.983  -0.421   1.192  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.285  -0.030   1.543  0.00  0.00    +0.014 A 
BRANCH   4  12
ATOM     10  C   LIG    1       -8.802   1.119   0.535  0.00  0.00    +0.049 A 
ATOM     11  N   LIG    1       -7.598   0.751  -0.041  0.00  0.00    -0.244 NA
ATOM     12  C   LIG    1       -6.673   0.541   0.879  0.00  0.00    +0.109 A 
ATOM     13  S   LIG    1       -7.227   0.780   2.497  0.00  0.00    -0.075 S 
ATOM     14  C   LIG    1       -8.781   1.187   1.913  0.00  0.00    +0.070 A 
BRANCH  10  16
ATOM     15  C   LIG    1      -10.713   0.125  -0.734  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -9.967   1.395  -0.356  0.00  0.00    +0.052 C 
ENDBRANCH  10  16
ENDBRANCH   4  12
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.041   0.641  -0.600  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.011  -0.229  -1.181  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.290  -0.224  -0.696  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        4.156  -1.099  -1.361  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        5.475  -1.186  -0.947  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        6.564  -2.033  -1.523  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        7.591  -2.001  -0.382  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        7.421  -0.643   0.341  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        5.952  -0.402   0.106  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        5.107   0.466   0.777  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.769   0.550   0.372  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        8.304   0.442  -0.283  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.343   1.694   0.550  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        8.065   1.812   1.731  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.793   2.752  -0.153  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        8.786   3.490   0.492  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11