REMARK  Name = BDB051147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.381   0.208   1.539  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.343   0.194   2.550  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.633   0.675   2.315  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.980   1.188   1.060  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        3.011   1.200   0.047  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.720   0.715   0.285  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.161  -0.292   1.903  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.827  -0.405   0.876  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.087  -1.022   1.491  0.00  0.00    +0.148 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.898  -0.412  -0.044  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -3.086  -1.410   0.492  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1       -3.049  -2.795   0.043  0.00  0.00    +0.132 C 
ATOM     13  O   LIG    1       -3.739   0.771   0.263  0.00  0.00    -0.275 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.975  -0.853  -1.043  0.00  0.00    +0.123 C 
BRANCH  14  17
ATOM     15  C   LIG    1       -8.207   1.288  -1.575  0.00  0.00    +0.035 C 
ATOM     16  C   LIG    1       -7.266   0.174  -1.245  0.00  0.00    -0.034 C 
ATOM     17  C   LIG    1       -5.934   0.255  -1.387  0.00  0.00    -0.022 C 
ENDBRANCH  14  17
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        5.377   1.702   0.801  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.225   0.748   0.020  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        6.612   0.816  -1.265  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1        7.411  -0.204  -1.670  0.00  0.00    -0.287 N 
ATOM     22  H   LIG    1        7.765  -0.273  -2.611  0.00  0.00    +0.172 HD
ATOM     23  C   LIG    1        7.720  -1.149  -0.727  0.00  0.00    +0.291 A 
ATOM     24  O   LIG    1        8.415  -2.139  -0.873  0.00  0.00    -0.260 OA
ATOM     25  S   LIG    1        6.927  -0.676   0.781  0.00  0.00    -0.028 S 
BRANCH  20  26
ATOM     26  O   LIG    1        6.314   1.753  -2.200  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1        5.740   2.427  -1.802  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9