REMARK  Name = BDB051071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.527  -1.155   0.014  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.152   0.177  -0.157  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.002   0.668   0.464  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.794  -0.165   1.264  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        1.412  -1.500   1.434  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.260  -1.987   0.813  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.623  -1.761  -0.533  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.461  -0.960  -1.374  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.626  -1.820  -1.889  0.00  0.00    +0.150 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -4.365  -3.025   0.168  0.00  0.00    +0.134 C 
ATOM     11  N   LIG    1       -4.660  -2.053  -0.874  0.00  0.00    -0.285 N 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.519  -1.057  -0.549  0.00  0.00    +0.291 A 
ATOM     13  O   LIG    1       -5.608   0.007  -1.412  0.00  0.00    -0.424 OA
ATOM     14  C   LIG    1       -6.531   0.828  -0.838  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -6.951   0.231   0.337  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -7.909   0.883   1.125  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -8.399   2.120   0.679  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -7.946   2.691  -0.518  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -6.989   2.050  -1.315  0.00  0.00    +0.048 A 
ATOM     20  N   LIG    1       -6.301  -0.963   0.508  0.00  0.00    -0.195 NA
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1        3.050   0.364   1.920  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.224   0.486   0.938  0.00  0.00    +0.164 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.685  -0.872   0.442  0.00  0.00    +0.318 C 
ATOM     24  O   LIG    1        4.806  -1.199  -0.730  0.00  0.00    -0.250 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.995  -1.754   1.415  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1        5.307  -2.541   0.922  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
BRANCH  22  27
ATOM     27  S   LIG    1        5.619   1.361   1.770  0.00  0.00    -0.110 S 
BRANCH  27  28
ATOM     28  C   LIG    1        6.802   1.454   0.439  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        8.075   0.904   0.626  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        9.028   0.968  -0.392  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.717   1.589  -1.600  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.457   2.153  -1.788  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.503   2.090  -0.770  0.00  0.00    +0.015 A 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 11