REMARK  Name = BDB028477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.102   2.234   1.427  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.738   3.394   1.352  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        1.630   3.089   1.069  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.679   1.028   1.997  0.00  0.00    +0.138 C 
BRANCH   4  13
ATOM      5  O   LIG    1        2.946   1.995   0.702  0.00  0.00    -0.253 OA
ATOM      6  C   LIG    1        2.584   0.851   0.441  0.00  0.00    +0.302 C 
ATOM      7  N   LIG    1        3.236   0.032  -0.468  0.00  0.00    -0.284 N 
ATOM      8  C   LIG    1        3.195  -1.434  -0.386  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        4.276  -1.974   0.556  0.00  0.00    +0.088 C 
ATOM     10  S   LIG    1        5.958  -1.521  -0.006  0.00  0.00    -0.158 S 
ATOM     11  C   LIG    1        5.694   0.278  -0.233  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1        4.454   0.563  -1.083  0.00  0.00    +0.120 C 
ATOM     13  N   LIG    1        1.479   0.296   1.024  0.00  0.00    -0.297 N 
ATOM     14  H   LIG    1        0.924  -0.269   0.394  0.00  0.00    +0.150 HD
ENDBRANCH   4  13
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.735   1.989   0.038  0.00  0.00    +0.117 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.501   0.733  -0.094  0.00  0.00    -0.295 NA
ATOM     17  C   LIG    1       -2.734   0.775   0.721  0.00  0.00    +0.120 C 
ATOM     18  C   LIG    1       -3.645  -0.415   0.499  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -3.556  -1.184  -0.675  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -4.430  -2.261  -0.871  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.405  -2.558   0.081  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.511  -1.787   1.235  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.482  -0.886  -1.688  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -4.638  -0.718   1.443  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -1.866   0.507  -1.504  0.00  0.00    +0.089 C 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5