REMARK  Name = BDB008392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.520   1.017   0.836  0.00  0.00    -0.278 N 
ATOM      2  H   LIG    1        0.220   0.407   0.484  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.175   1.908   1.829  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1       -0.933   2.721   2.347  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.831  -0.145  -0.813  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -1.769   0.823   0.208  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -2.921   1.533   0.543  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -4.132   1.283  -0.126  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.198   0.310  -1.143  0.00  0.00    +0.075 A 
ATOM     10  N   LIG    1       -5.336   0.037  -1.805  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1       -6.447   0.732  -1.471  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -6.482   1.704  -0.491  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -5.304   1.982   0.192  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -3.044  -0.389  -1.466  0.00  0.00    +0.075 A 
BRANCH   5  16
ATOM     15  C   LIG    1       -0.620  -1.590  -2.273  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -0.652  -0.805  -1.085  0.00  0.00    -0.493 OA
ENDBRANCH   5  16
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1        1.230   1.829   2.252  0.00  0.00    +0.070 A 
ATOM     18  C   LIG    1        2.234   0.904   1.801  0.00  0.00    +0.095 A 
ATOM     19  C   LIG    1        3.465   1.112   2.409  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        4.518   0.286   2.061  0.00  0.00    +0.131 A 
ATOM     21  N   LIG    1        4.317  -0.690   1.153  0.00  0.00    -0.222 NA
ATOM     22  C   LIG    1        3.103  -0.836   0.601  0.00  0.00    +0.216 A 
ATOM     23  S   LIG    1        3.410   2.413   3.517  0.00  0.00    -0.093 S 
ATOM     24  N   LIG    1        2.039  -0.079   0.885  0.00  0.00    -0.213 NA
ATOM     25  C   LIG    1        1.758   2.697   3.194  0.00  0.00    +0.061 A 
BRANCH  22  26
ATOM     26  N   LIG    1        2.876  -1.849  -0.337  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1        1.872  -1.978  -0.394  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        3.745  -3.019  -0.362  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1        3.783  -3.903  -1.577  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1        4.970  -3.054  -1.230  0.00  0.00    +0.024 C 
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH   3  17
TORSDOF 5