REMARK  Name = BDB028584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.372  -1.217   0.267  0.00  0.00    -0.448 OA
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.635  -3.364  -0.467  0.00  0.00    -0.226 OA
ATOM      3  C   LIG    1        1.100  -2.260  -0.209  0.00  0.00    +0.403 C 
ATOM      4  N   LIG    1        2.417  -1.927  -0.377  0.00  0.00    -0.267 N 
ATOM      5  C   LIG    1        3.014  -0.646  -0.032  0.00  0.00    +0.119 C 
ATOM      6  C   LIG    1        4.525  -0.898  -0.119  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1        4.622  -2.012  -1.173  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1        3.400  -2.868  -0.869  0.00  0.00    +0.112 C 
BRANCH   6   9
ATOM      9  C   LIG    1        5.356   0.327  -0.415  0.00  0.00    -0.043 A 
ATOM     10  C   LIG    1        6.327   0.746   0.507  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.107   1.877   0.258  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.927   2.606  -0.914  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.967   2.204  -1.839  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.186   1.072  -1.591  0.00  0.00    +0.004 A 
ENDBRANCH   6   9
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -1.012  -1.522   0.508  0.00  0.00    +0.266 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.706  -0.270   1.052  0.00  0.00    +0.166 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.248  -0.003   2.387  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1       -1.955   0.541   2.790  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -3.237  -0.457   1.085  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.922   0.657   1.787  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -5.343   0.317   2.060  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -6.197   0.463   0.831  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1       -5.829   1.260  -0.236  0.00  0.00    -0.005 A 
ATOM     24  S   LIG    1       -6.974   1.275  -1.488  0.00  0.00    -0.101 S 
ATOM     25  C   LIG    1       -8.000   0.211  -0.623  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.534   2.002  -0.309  0.00  0.00    +0.058 C 
ATOM     27  C   LIG    1       -7.469  -0.145   0.598  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -3.838   1.956   1.070  0.00  0.00    +0.090 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7