REMARK  Name = BDB002473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.661   0.073  -1.190  0.00  0.00    -0.261 N 
ATOM      2  H   LIG    1        1.531   1.035  -0.913  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1        0.594  -0.794  -1.202  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        0.559  -1.934  -1.646  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        6.287   0.979  -2.241  0.00  0.00    +0.146 A 
ATOM      6  C   LIG    1        5.061   0.275  -2.084  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        5.033  -1.082  -2.431  0.00  0.00    +0.044 A 
ATOM      8  S   LIG    1        3.452  -1.707  -2.155  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        2.938  -0.183  -1.621  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1        6.162  -1.761  -2.919  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        7.353  -1.051  -3.061  0.00  0.00    +0.005 A 
ATOM     12  N   LIG    1        3.842   0.764  -1.615  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1        7.415   0.297  -2.726  0.00  0.00    +0.048 A 
BRANCH   5  15
ATOM     14  C   LIG    1        5.423   3.086  -1.522  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        6.537   2.319  -1.958  0.00  0.00    -0.493 OA
ENDBRANCH   5  15
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.664  -0.235  -0.630  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -1.884  -0.602  -1.217  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -3.087  -0.105  -0.711  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -3.070   0.736   0.406  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1       -1.857   1.116   0.993  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -0.654   0.620   0.482  0.00  0.00    +0.015 A 
BRANCH  19  22
ATOM     22  S   LIG    1       -4.602   1.401   1.034  0.00  0.00    +0.061 S 
ATOM     23  O   LIG    1       -5.551   1.396  -0.058  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1       -4.277   2.621   1.743  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1       -5.096   0.252   2.167  0.00  0.00    -0.172 NA
ATOM     26  C   LIG    1       -5.644  -1.034   1.658  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -5.938  -1.974   2.832  0.00  0.00    +0.177 C 
ATOM     28  O   LIG    1       -4.762  -2.320   3.578  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -3.761  -1.294   3.583  0.00  0.00    +0.177 C 
ATOM     30  C   LIG    1       -4.332   0.121   3.437  0.00  0.00    +0.137 C 
ENDBRANCH  22  25
ENDBRANCH  19  22
ENDBRANCH   3  16
TORSDOF 5