REMARK  Name = BDB050007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.266  -0.723  -0.274  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.024  -2.174  -1.124  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1       -1.671  -1.925  -1.050  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.946  -0.747  -0.381  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -0.819  -0.072   0.075  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.289  -0.226  -0.129  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.475   0.740   0.872  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.744   1.260   1.141  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.845   0.824   0.408  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.676  -0.128  -0.594  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.407  -0.649  -0.863  0.00  0.00    +0.010 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     12  O   LIG    1        2.937  -1.735  -1.013  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.724  -0.773  -0.286  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1        1.505  -0.243   0.066  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1        1.452   0.634   0.562  0.00  0.00    +0.157 HD
BRANCH  13  16
ATOM     16  C   LIG    1        3.901  -0.047   0.266  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        3.876   0.559   1.523  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        5.022   1.205   1.952  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        6.157   1.278   1.226  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        6.161   0.664   0.023  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        5.071  -0.008  -0.495  0.00  0.00    +0.033 A 
ENDBRANCH  13  16
ENDBRANCH   1  14
TORSDOF 3