REMARK  Name = BDB028500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.591   0.396  -0.681  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.690  -1.024  -0.836  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.230  -1.371  -0.847  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.486   0.787   0.352  0.00  0.00    +0.138 C 
BRANCH   4  14
ATOM      5  O   LIG    1       -1.919  -1.398  -0.629  0.00  0.00    -0.253 OA
ATOM      6  C   LIG    1       -2.480  -0.304  -0.622  0.00  0.00    +0.302 C 
ATOM      7  N   LIG    1       -3.783  -0.131  -1.062  0.00  0.00    -0.285 N 
ATOM      8  C   LIG    1       -4.524  -1.362  -1.374  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -5.959  -1.227  -1.895  0.00  0.00    +0.088 C 
ATOM     10  S   LIG    1       -7.228  -0.522  -0.771  0.00  0.00    -0.159 S 
ATOM     11  C   LIG    1       -6.213   0.267   0.515  0.00  0.00    +0.071 C 
ATOM     12  C   LIG    1       -5.361   1.438   0.036  0.00  0.00    +0.030 C 
ATOM     13  C   LIG    1       -4.473   1.155  -1.170  0.00  0.00    +0.110 C 
ATOM     14  N   LIG    1       -1.843   0.829  -0.195  0.00  0.00    -0.297 N 
ATOM     15  H   LIG    1       -2.448   1.492   0.260  0.00  0.00    +0.150 HD
ENDBRANCH   4  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        1.982   0.982  -0.324  0.00  0.00    +0.117 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.379   0.867   1.098  0.00  0.00    -0.295 NA
ATOM     18  C   LIG    1        2.753  -0.512   1.476  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1        4.121  -0.962   1.005  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        5.125  -0.027   0.699  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        6.396  -0.471   0.308  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        6.674  -1.836   0.241  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.686  -2.765   0.556  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.816   1.448   0.720  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        4.416  -2.332   0.939  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.495   1.768   1.435  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5