REMARK  Name = BDB032619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.181   1.796  -1.693  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -1.357   2.774  -1.904  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.050   1.480  -1.153  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.865   2.470  -0.781  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.998   1.855  -0.281  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        1.865   0.500  -0.366  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        0.636   0.223  -0.922  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        2.983  -0.304   0.117  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.926  -1.705   0.062  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.991  -2.486   0.522  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.129  -1.877   1.044  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.203  -0.488   1.106  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.138   0.292   0.646  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1       -3.377   1.507  -2.818  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1       -2.409   0.740  -2.058  0.00  0.00    +0.076 S 
ATOM     16  O   LIG    1       -1.868  -0.487  -2.597  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.132   0.431  -0.477  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1       -2.762  -0.681   0.268  0.00  0.00    +0.150 A 
ATOM     19  F   LIG    1       -1.820  -1.534  -0.153  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1       -3.360  -0.929   1.502  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -4.342  -0.066   1.988  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -4.728   1.044   1.237  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.128   1.293   0.001  0.00  0.00    +0.032 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4