REMARK  Name = BDB058797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.095   2.001   0.994  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1        0.291   1.877   2.150  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.905   1.110   2.071  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.673   0.971   3.254  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.309   1.576   4.458  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.154   2.335   4.522  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.289   0.501   0.831  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -0.427   0.614  -0.268  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        0.637   2.481   3.384  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.744   1.364  -0.192  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.311   2.752   0.993  0.00  0.00    -0.216 N 
ATOM     12  H   LIG    1        2.281   3.694   1.378  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1        3.747   1.959   1.397  0.00  0.00    +0.072 S 
ATOM     14  O   LIG    1        3.487   0.952   2.402  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1        4.723   3.004   1.626  0.00  0.00    -0.150 OA
BRANCH  13  19
ATOM     16  C   LIG    1        4.901  -0.123  -2.502  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        4.351  -0.861  -1.451  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        3.997  -0.227  -0.256  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        4.187   1.151  -0.120  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        4.748   1.897  -1.159  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        5.097   1.254  -2.348  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1        5.161  -2.023  -3.907  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.285  -0.619  -3.717  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   7  24
ATOM     24  N   LIG    1       -2.480  -0.253   0.777  0.00  0.00    -0.331 N 
ATOM     25  H   LIG    1       -3.219   0.280   1.240  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  CA  LIG    1       -2.997  -0.841  -0.481  0.00  0.00    +0.185 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.997  -2.003  -0.160  0.00  0.00    -0.009 C 
ATOM     28  C   LIG    1       -3.269  -3.098   0.652  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -4.497  -2.650  -1.469  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -5.222  -1.535   0.649  0.00  0.00    +0.013 C 
ENDBRANCH  26  27
BRANCH  26  31
ATOM     31  C   LIG    1       -3.645   0.260  -1.337  0.00  0.00    +0.326 C 
ATOM     32  O   LIG    1       -4.334   1.186  -0.934  0.00  0.00    -0.249 OA
BRANCH  31  33
ATOM     33  OXT LIG    1       -3.390   0.129  -2.656  0.00  0.00    -0.479 OA
ATOM     34  HXT LIG    1       -3.847   0.898  -3.059  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  24  26
ENDBRANCH   7  24
TORSDOF 9