REMARK  Name = BDB058508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.753   0.229   0.445  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -1.165  -1.065   0.733  0.00  0.00    +0.027 A 
ATOM      3  S   LIG    1        0.140  -2.022   1.313  0.00  0.00    -0.091 S 
ATOM      4  C   LIG    1        1.257  -0.733   1.179  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.642   0.412   0.718  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -3.366   3.267  -1.040  0.00  0.00    -0.022 A 
ATOM      7  C   LIG    1       -3.197   2.072  -1.750  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -2.341   1.078  -1.270  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -1.653   1.259  -0.065  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.823   2.450   0.649  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -2.679   3.444   0.168  0.00  0.00    +0.006 A 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.318   4.322  -1.536  0.00  0.00    +0.191 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -5.610   4.133  -0.974  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -5.601   3.292  -0.486  0.00  0.00    +0.210 HD
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  C   LIG    1       -2.496  -1.681   0.650  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1       -2.734  -2.768  -0.200  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -4.009  -3.337  -0.286  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -5.070  -2.840   0.482  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1       -4.832  -1.742   1.321  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -3.558  -1.172   1.407  0.00  0.00    +0.009 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -6.460  -3.411   0.376  0.00  0.00    +0.191 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -6.430  -4.778  -0.015  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -7.352  -5.085  -0.021  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  15
BRANCH   4  24
ATOM     24  C   LIG    1        2.695  -0.933   1.560  0.00  0.00    +0.123 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.413  -1.819   0.645  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1        2.861  -2.674   0.560  0.00  0.00    +0.122 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.663  -1.292  -0.698  0.00  0.00    +0.084 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.844  -0.310  -0.851  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        4.475   1.163  -0.592  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1        5.571   1.934   0.147  0.00  0.00    +0.081 C 
ATOM     31  N   LIG    1        6.878   1.643  -0.425  0.00  0.00    -0.316 NA
ATOM     32  H   LIG    1        7.593   2.229   0.003  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        7.253   0.233  -0.296  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1        6.082  -0.722  -0.044  0.00  0.00    +0.020 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 10