REMARK  Name = BDB000491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.148   2.429   1.718  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.711   1.920   0.508  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1       -4.697   0.648   0.160  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.806   0.678  -0.922  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.485   1.113  -0.752  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.019   1.530   0.495  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.889   1.503   1.580  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.210   1.067   1.411  0.00  0.00    +0.014 A 
BRANCH   3  13
ATOM      9  C   LIG    1       -8.308  -0.578  -0.661  0.00  0.00    +0.077 A 
ATOM     10  C   LIG    1       -8.174  -0.333   0.696  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -9.216  -0.492   1.747  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1       -6.919   0.109   1.088  0.00  0.00    -0.244 NA
ATOM     13  C   LIG    1       -6.102   0.201   0.057  0.00  0.00    +0.109 A 
ATOM     14  S   LIG    1       -6.821  -0.242  -1.442  0.00  0.00    -0.064 S 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.404  -1.240  -2.874  0.00  0.00    +0.092 C 
ATOM     16  C   LIG    1       -9.486  -1.044  -1.377  0.00  0.00    +0.168 C 
ATOM     17  O   LIG    1      -10.552  -1.287  -0.806  0.00  0.00    -0.292 OA
ENDBRANCH   9  16
ENDBRANCH   3  13
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.391   1.303   2.602  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.505   0.510   1.921  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.632   1.369   1.745  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.733   0.835   1.131  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.863  -0.483   0.688  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.052  -0.863   0.078  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        5.417  -2.221  -0.433  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1        6.600  -1.881  -1.348  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        7.294  -0.645  -0.727  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1        6.112   0.037  -0.086  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1        5.999   1.341   0.366  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        4.800   1.735   0.968  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  C   LIG    1        8.034   0.203  -1.759  0.00  0.00    +0.128 C 
BRANCH  30  31
ATOM     31  C   LIG    1        9.233  -0.511  -2.316  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1        9.733  -1.548  -1.917  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        9.771   0.149  -3.361  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       10.540  -0.399  -3.622  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11