REMARK  Name = BDB001220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.083  -2.185  -1.005  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.110  -2.530  -0.086  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.222  -2.209   0.865  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.875  -2.256  -2.214  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.603  -3.050   1.761  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        2.985  -2.035   0.743  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.326  -1.708  -0.431  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        3.246  -0.544  -1.293  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        4.421  -0.512  -0.040  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.160  -1.330   0.963  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        5.614   0.361  -0.093  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        6.474   0.397   1.022  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        7.622   1.199   1.036  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        7.926   1.982  -0.081  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        7.092   1.964  -1.203  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        5.945   1.158  -1.204  0.00  0.00    +0.013 A 
BRANCH  14  17
ATOM     17  N   LIG    1        9.129   2.824  -0.077  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1        9.383   3.469  -1.104  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        9.819   2.840   0.952  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.235  -2.861  -0.499  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.146  -1.670  -0.355  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -2.972  -1.530   0.768  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -3.795  -0.409   0.913  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.806   0.577  -0.069  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -2.960   0.467  -1.171  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -2.141  -0.654  -1.320  0.00  0.00    +0.009 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -4.559   1.713   0.009  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -5.992   1.577   0.082  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1       -6.526   0.490  -0.871  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1       -6.511   2.942  -0.405  0.00  0.00    +0.067 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -6.519   1.402   1.529  0.00  0.00    +0.348 C 
ATOM     32  O   LIG    1       -5.834   1.494   2.540  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -7.852   1.167   1.630  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1       -8.351   1.165   0.794  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9