REMARK  Name = BDB056049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.614  -0.249  -0.302  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -2.049   0.631   0.633  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.679   0.604   0.916  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.164  -0.303   0.264  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1       -0.392  -1.191  -0.665  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.762  -1.161  -0.945  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.830  -0.160  -1.167  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -6.208  -1.349  -0.784  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.838  -1.381  -0.503  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.056  -0.220  -0.597  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -4.694   0.969  -0.983  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -6.066   1.002  -1.266  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -8.849   0.919  -1.802  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -8.170  -0.268  -1.413  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  15
ATOM     15  C   LIG    1        1.639  -0.343   0.575  0.00  0.00    +0.114 C 
BRANCH  15  16
ATOM     16  S   LIG    1        2.006  -1.481   1.935  0.00  0.00    -0.061 S 
BRANCH  16  17
ATOM     17  C   LIG    1        3.728  -1.299   2.041  0.00  0.00    +0.278 A 
ATOM     18  O   LIG    1        4.464  -0.475   1.228  0.00  0.00    -0.411 OA
ATOM     19  C   LIG    1        5.737  -0.677   1.693  0.00  0.00    +0.249 A 
ATOM     20  N   LIG    1        5.781  -1.536   2.689  0.00  0.00    -0.106 NA
ATOM     21  N   LIG    1        4.480  -1.939   2.913  0.00  0.00    -0.101 NA
BRANCH  19  22
ATOM     22  C   LIG    1        6.814   0.058   1.046  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        8.130  -0.114   1.487  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        9.140   0.594   0.859  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        8.930   1.448  -0.163  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        7.656   1.602  -0.577  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.578   0.940  -0.013  0.00  0.00    +0.033 A 
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 6