REMARK  Name = BDB001194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.285  -2.583   0.030  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1        0.392  -1.642  -0.489  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -0.634  -1.141   0.323  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -0.750  -1.585   1.649  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.137  -2.541   2.152  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.154  -3.047   1.343  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.548  -0.112  -0.253  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -2.841  -0.140   0.228  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -3.084  -0.901   0.862  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.095   0.643  -1.104  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.924   0.718  -0.101  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -5.196   0.489   0.473  0.00  0.00    +0.080 A 
ATOM     13  C   LIG    1       -6.279   1.331   0.153  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -6.120   2.397  -0.738  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -7.269   3.309  -1.050  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -4.859   2.631  -1.288  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -3.776   1.800  -0.976  0.00  0.00    +0.024 A 
BRANCH  12  18
ATOM     18  C   LIG    1       -5.399  -0.636   1.428  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -4.531  -1.400   1.817  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -6.669  -0.761   1.853  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -6.657  -1.533   2.457  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  S   LIG    1        2.589  -3.218  -0.989  0.00  0.00    +0.084 S 
ATOM     23  O   LIG    1        2.439  -2.705  -2.336  0.00  0.00    -0.148 OA
ATOM     24  O   LIG    1        2.714  -4.638  -0.718  0.00  0.00    -0.148 OA
BRANCH  22  30
ATOM     25  C   LIG    1        5.428   1.409  -0.302  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        5.984   0.350   0.427  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        5.423  -0.940   0.346  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.746  -2.184   0.961  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        4.829  -3.114   0.529  0.00  0.00    +0.113 A 
ATOM     30  N   LIG    1        3.987  -2.482  -0.351  0.00  0.00    -0.218 N 
ATOM     31  C   LIG    1        4.307  -1.145  -0.476  0.00  0.00    +0.072 A 
ATOM     32  C   LIG    1        3.743  -0.092  -1.216  0.00  0.00    +0.032 A 
ATOM     33  C   LIG    1        4.319   1.182  -1.113  0.00  0.00    +0.048 A 
BRANCH  25  35
ATOM     34  C   LIG    1        5.548   3.721  -0.850  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        6.065   2.608  -0.130  0.00  0.00    -0.495 OA
ENDBRANCH  25  35
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 7