REMARK  Name = BDB032968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.141   0.547  -0.950  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.884   0.024   0.079  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.431  -0.224   0.949  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.535   0.994  -2.018  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.498  -1.917  -0.325  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.080  -0.530  -0.353  0.00  0.00    -0.037 A 
ATOM      7  C   LIG    1       -1.315   0.610  -0.665  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.918   1.875  -0.736  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -3.277   2.023  -0.456  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -4.043   0.907  -0.109  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -3.445  -0.360  -0.058  0.00  0.00    +0.023 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.438   1.056   0.187  0.00  0.00    +0.099 C 
ATOM     13  N   LIG    1       -6.566   1.173   0.433  0.00  0.00    -0.191 NA
ENDBRANCH  10  12
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1        2.241  -0.167   0.103  0.00  0.00    +0.167 A 
ATOM     15  S   LIG    1        3.255   0.169  -1.227  0.00  0.00    -0.028 S 
ATOM     16  C   LIG    1        4.588  -0.345  -0.313  0.00  0.00    +0.185 A 
ATOM     17  C   LIG    1        4.194  -0.746   0.941  0.00  0.00    +0.153 A 
ATOM     18  N   LIG    1        2.833  -0.645   1.176  0.00  0.00    -0.231 NA
BRANCH  16  19
ATOM     19  N   LIG    1        5.917  -0.339  -0.834  0.00  0.00    +0.065 N 
ATOM     20  O   LIG    1        6.805  -0.736  -0.068  0.00  0.00    -0.126 OA
ATOM     21  O   LIG    1        6.091   0.052  -1.994  0.00  0.00    -0.126 OA
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 4