REMARK  Name = BDB000471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.555  -2.350   0.154  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.198  -0.971   0.037  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.576  -1.163  -0.284  0.00  0.00    -0.492 OA
BRANCH   3   5
ATOM      4  C   LIG    1       -4.739  -0.288  -0.576  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -3.370  -0.051  -0.372  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -2.912   1.264  -0.285  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.801   2.342  -0.393  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -5.173   2.135  -0.593  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.620   0.806  -0.682  0.00  0.00    +0.017 A 
BRANCH   8  10
ATOM     10  C   LIG    1       -6.161   3.229  -0.711  0.00  0.00    +0.108 A 
ATOM     11  S   LIG    1       -5.699   4.895  -0.697  0.00  0.00    -0.076 S 
ATOM     12  C   LIG    1       -7.335   5.360  -0.871  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -8.129   4.238  -0.931  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1       -7.462   3.034  -0.840  0.00  0.00    -0.247 NA
ENDBRANCH   8  10
BRANCH   4  15
ATOM     15  C   LIG    1       -5.297  -1.692  -0.672  0.00  0.00    +0.038 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.487  -1.779   1.583  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.431  -2.401   0.679  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   4  15
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.897  -2.272   0.612  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.639  -1.507  -0.337  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.976  -1.339  -0.097  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.648  -0.600  -1.077  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.008  -0.377  -0.934  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1        5.912   0.395  -1.842  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1        7.291  -0.087  -1.367  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        7.154  -0.457   0.130  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1        5.703  -0.859   0.178  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1        5.051  -1.590   1.157  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        3.680  -1.832   1.013  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        7.428   0.719   1.071  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.900   1.038   1.164  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1        9.796   0.408   0.626  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        9.143   2.122   1.937  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        8.338   2.528   2.312  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 12