REMARK  Name = BDB059275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.771   0.018   1.224  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.028   1.375   1.344  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.744   2.002   0.589  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.493  -0.825   1.754  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.530   0.096  -0.676  0.00  0.00    -0.021 A 
ATOM      6  C   LIG    1       -1.452   0.505   0.122  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -0.386  -0.371   0.374  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -0.404  -1.663  -0.166  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -1.460  -2.078  -0.985  0.00  0.00    -0.049 A 
ATOM     10  C   LIG    1       -1.490  -3.470  -1.542  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.519  -1.195  -1.229  0.00  0.00    +0.009 A 
BRANCH   5  12
ATOM     12  C   LIG    1       -3.677   1.038  -0.961  0.00  0.00    +0.195 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -4.940   0.395  -0.794  0.00  0.00    -0.375 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.086   1.601   0.973  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -5.380   0.321   0.561  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.397   1.722   1.955  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.792   0.903   2.440  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.515   2.386   0.837  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        2.752   2.994  -0.234  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        4.475   3.154   1.601  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.339   0.954   0.226  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        3.737   0.185  -0.761  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        2.519   0.481  -1.235  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        4.387  -0.938  -1.269  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.651  -1.284  -0.791  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        6.264  -0.505   0.193  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.611   0.619   0.702  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 7