REMARK  Name = BDB000485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.662  -1.137   2.227  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.832  -0.428   1.547  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1        2.935  -1.333   1.483  0.00  0.00    -0.492 OA
BRANCH   3   8
ATOM      4  C   LIG    1        7.796   0.363  -0.829  0.00  0.00    +0.030 C 
ATOM      5  C   LIG    1        6.556  -0.221  -0.205  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1        5.511   0.710  -0.191  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        4.278   0.405   0.367  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        4.086  -0.871   0.903  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        5.136  -1.807   0.875  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        5.944   2.008  -0.797  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1        6.379  -1.488   0.322  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        7.183   1.564  -1.587  0.00  0.00    +0.013 C 
BRANCH   4  13
ATOM     13  C   LIG    1        8.824   0.817   0.209  0.00  0.00    +0.128 C 
BRANCH  13  15
ATOM     14  O   LIG    1        9.691  -0.521   2.045  0.00  0.00    -0.251 OA
ATOM     15  C   LIG    1        9.552  -0.332   0.848  0.00  0.00    +0.305 C 
BRANCH  15  16
ATOM     16  O   LIG    1       10.139  -1.155  -0.042  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       10.598  -1.815   0.519  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  13
ENDBRANCH   3   8
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.121  -2.300   1.395  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.372  -1.855   0.130  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.662  -1.417   0.036  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -2.575  -1.292   1.078  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.871  -0.818   0.825  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -4.287  -0.459  -0.469  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.353  -0.589  -1.507  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -2.059  -1.062  -1.254  0.00  0.00    +0.046 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.668   0.033  -0.661  0.00  0.00    +0.109 A 
ATOM     27  S   LIG    1       -6.296   0.429  -2.227  0.00  0.00    -0.072 S 
ATOM     28  C   LIG    1       -7.781   0.852  -1.524  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -8.972   1.320  -2.288  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1      -10.002   1.946  -1.329  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1      -10.189   1.108  -0.051  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1       -8.879   0.970   0.744  0.00  0.00    +0.056 C 
ATOM     33  C   LIG    1       -7.732   0.668  -0.160  0.00  0.00    +0.052 A 
ATOM     34  N   LIG    1       -6.530   0.207   0.329  0.00  0.00    -0.244 NA
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10