REMARK  Name = BDB002645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.168  -1.299   0.273  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -1.354  -0.731  -0.190  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -2.065  -1.605  -1.008  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -3.292  -1.246  -1.579  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -3.788   0.032  -1.308  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.091   0.930  -0.500  0.00  0.00    +0.122 A 
ATOM      7  S   LIG    1       -1.204  -3.086  -1.160  0.00  0.00    -0.074 S 
ATOM      8  C   LIG    1       -1.870   0.557   0.073  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        0.062  -2.532  -0.153  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        1.235  -3.391   0.161  0.00  0.00    +0.071 C 
ENDROOT
BRANCH   6  11
ATOM     11  O   LIG    1       -3.710   2.137  -0.340  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1       -3.002   3.166   0.343  0.00  0.00    +0.277 C 
ENDBRANCH   6  11
BRANCH   1  13
ATOM     13  C   LIG    1        0.751  -0.578   1.158  0.00  0.00    +0.243 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.530   0.457   0.378  0.00  0.00    +0.327 C 
ATOM     15  O   LIG    1        1.284   1.653   0.414  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1        2.481  -0.142  -0.387  0.00  0.00    -0.464 OA
BRANCH  16  18
ATOM     17  C   LIG    1        4.462   1.254  -0.391  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        3.286   0.736  -1.196  0.00  0.00    +0.229 C 
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5