REMARK  Name = BDB012081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.545   0.519   0.330  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.579   1.016  -0.422  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        0.603   1.159  -1.912  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        1.617   1.396   0.428  0.00  0.00    +0.079 A 
ATOM      5  S   LIG    1        1.176   1.268   2.079  0.00  0.00    -0.090 S 
ATOM      6  C   LIG    1       -0.351   0.630   1.689  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.957   1.884   0.126  0.00  0.00    +0.251 C 
ATOM      8  N   LIG    1        3.551   1.276  -0.961  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.120   0.441  -1.339  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.547   2.736   0.786  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.935   1.496  -1.310  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.786   0.443  -0.662  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.668  -0.919  -1.283  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        4.891  -1.145  -2.208  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.461  -1.907  -0.760  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.363  -2.817  -1.192  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        7.320  -1.735   0.296  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        8.094  -2.933   0.751  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        7.418  -0.524   0.864  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        6.639   0.605   0.375  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        6.874   1.890   1.122  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -1.693   0.008  -0.218  0.00  0.00    -0.326 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.007   0.490   0.261  0.00  0.00    +0.074 C 
ATOM     24  C   LIG    1       -3.728  -0.525   1.165  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -4.883  -1.249   0.476  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.917  -0.300  -0.179  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -5.332   1.094  -0.495  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -3.868   0.990  -0.912  0.00  0.00    +0.024 C 
BRANCH  26  29
ATOM     29  N   LIG    1       -7.204  -0.287   0.546  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1       -7.148   0.261   1.899  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -8.269   0.362  -0.221  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1       -0.987  -2.374  -0.400  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -1.625  -1.176  -1.090  0.00  0.00    +0.102 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7