REMARK  Name = BDB001678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.124   0.535  -0.610  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.191   1.126  -0.437  0.00  0.00    -0.315 N 
ATOM      3  H   LIG    1       -1.691   1.404  -1.279  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -1.940   0.878   0.695  0.00  0.00    +0.217 C 
ATOM      5  O   LIG    1       -1.518   0.244   1.657  0.00  0.00    -0.275 OA
BRANCH   4   6
ATOM      6  C   LIG    1       -3.346   1.451   0.653  0.00  0.00    +0.133 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -4.421   0.385   0.638  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1       -4.654  -0.507  -0.432  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1       -5.660  -1.488  -0.358  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -6.449  -1.588   0.785  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -6.237  -0.719   1.851  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.235   0.254   1.780  0.00  0.00    +0.006 A 
BRANCH   8  13
ATOM     13  N   LIG    1       -3.870  -0.460  -1.669  0.00  0.00    +0.057 N 
ATOM     14  O   LIG    1       -3.587  -1.538  -2.208  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1       -3.543   0.652  -2.107  0.00  0.00    -0.126 OA
ENDBRANCH   8  13
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        1.195   1.231   0.234  0.00  0.00    +0.054 C 
BRANCH  16  20
ATOM     17  C   LIG    1        5.066  -0.540  -0.391  0.00  0.00    +0.105 A 
ATOM     18  C   LIG    1        4.704   0.596  -1.118  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        3.451   1.174  -0.909  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        2.559   0.620   0.021  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        2.932  -0.531   0.731  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.182  -1.115   0.526  0.00  0.00    +0.029 A 
BRANCH  17  23
ATOM     23  S   LIG    1        6.654  -1.284  -0.644  0.00  0.00    +0.056 S 
ATOM     24  O   LIG    1        7.243  -0.721  -1.838  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        6.534  -2.706  -0.432  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        7.535  -0.638   0.638  0.00  0.00    -0.204 NA
ATOM     27  H   LIG    1        6.955  -0.138   1.311  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        8.278  -0.046   0.261  0.00  0.00    +0.144 HD
ENDBRANCH  23  26
ENDBRANCH  17  23
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 8