REMARK  Name = BDB000472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.241  -0.561  -2.181  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.531   0.193  -1.879  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1        2.619  -0.733  -1.893  0.00  0.00    -0.488 OA
BRANCH   3   5
ATOM      4  C   LIG    1        4.249   0.834  -0.900  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        3.650  -0.427  -1.042  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        4.146  -1.518  -0.327  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        5.203  -1.353   0.569  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        5.800  -0.098   0.761  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        5.304   0.989   0.014  0.00  0.00    +0.060 A 
BRANCH   8  10
ATOM     10  C   LIG    1        6.909   0.016   1.733  0.00  0.00    +0.108 A 
ATOM     11  S   LIG    1        7.884   1.437   1.860  0.00  0.00    -0.076 S 
ATOM     12  C   LIG    1        8.804   0.706   3.102  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        8.328  -0.562   3.343  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        7.257  -0.951   2.565  0.00  0.00    -0.247 NA
ENDBRANCH   8  10
BRANCH   4  16
ATOM     15  C   LIG    1        4.542   3.036  -1.783  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        3.760   1.853  -1.677  0.00  0.00    -0.491 OA
ENDBRANCH   4  16
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.058  -1.624  -1.126  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.310  -2.258  -1.399  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.443  -1.744  -0.830  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -2.544  -0.531  -0.146  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -3.780  -0.159   0.367  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -4.123   1.097   1.104  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -5.470   0.714   1.734  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -6.134  -0.323   0.797  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -4.912  -0.961   0.191  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -4.829  -2.163  -0.491  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.586  -2.548  -1.000  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.014   0.310  -0.283  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -8.321   0.817   0.275  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -8.678   0.728   1.438  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -9.091   1.400  -0.674  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -8.690   1.398  -1.564  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