REMARK  Name = BDB022167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.479   1.310  -0.591  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        0.879   1.691   0.057  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        0.741   2.618   1.297  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        1.517   2.552   2.254  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -0.224   3.603   1.258  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -0.234   4.278   2.012  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1       -1.232   3.517   0.331  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -2.267   4.381   0.122  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -2.556   5.624   0.793  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -3.088   3.975  -0.869  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -2.570   2.808  -1.279  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -3.228   2.031  -2.358  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -1.407   2.475  -0.547  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.496  -2.098   1.221  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -2.312  -0.929   1.962  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -1.678   0.182   1.396  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -1.212   0.148   0.072  0.00  0.00    -0.037 A 
ATOM     18  C   LIG    1       -1.384  -1.042  -0.656  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.016  -2.153  -0.088  0.00  0.00    +0.015 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.634  -3.782   0.806  0.00  0.00    +0.090 C 
ATOM     21  S   LIG    1       -3.292  -3.496   1.991  0.00  0.00    -0.129 S 
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   2  22
ATOM     22  N   LIG    1        1.723   0.549   0.408  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        2.115   0.548   1.344  0.00  0.00    +0.150 HD
ATOM     24  C   LIG    1        2.232  -0.293  -0.552  0.00  0.00    +0.245 C 
ATOM     25  O   LIG    1        2.002  -0.155  -1.749  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.111  -1.391  -0.069  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.101  -1.882  -0.930  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        4.944  -2.925  -0.524  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        6.029  -3.420  -1.434  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        4.794  -3.460   0.761  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        3.797  -2.986   1.615  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        2.951  -1.956   1.201  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 4