REMARK  Name = BDB048280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.405   2.370  -0.526  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1       -2.241   2.119  -1.026  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -1.462   3.105  -1.578  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1       -1.904   4.483  -1.621  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -0.235   2.728  -2.074  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        0.606   3.460  -2.578  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.048   1.261  -1.903  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        1.071   0.643  -2.306  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1       -1.417   0.577  -1.121  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.738  -0.714   1.149  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -4.834   0.003   1.942  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -4.059   1.023   1.385  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -4.168   1.334   0.028  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -5.089   0.639  -0.759  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -5.867  -0.381  -0.205  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -7.905  -1.262   2.289  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -6.589  -1.803   1.753  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1        1.374  -0.787  -2.168  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1        2.478  -1.180  -1.402  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        2.772  -2.529  -1.285  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1        2.026  -3.473  -1.897  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1        0.970  -3.076  -2.640  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        0.609  -1.755  -2.809  0.00  0.00    +0.028 A 
BRANCH  20  24
ATOM     24  N   LIG    1        3.823  -3.083  -0.560  0.00  0.00    -0.270 N 
ATOM     25  H   LIG    1        3.821  -4.095  -0.626  0.00  0.00    +0.156 HD
ATOM     26  C   LIG    1        4.843  -2.617   0.206  0.00  0.00    +0.218 C 
ATOM     27  O   LIG    1        5.605  -3.445   0.711  0.00  0.00    -0.275 OA
BRANCH  26  28
ATOM     28  C   LIG    1        5.040  -1.134   0.431  0.00  0.00    +0.097 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.254  -0.828   1.313  0.00  0.00    +0.020 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.433   0.677   1.508  0.00  0.00    +0.121 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.623   1.004   2.381  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1        8.359   0.189   2.913  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.799   2.338   2.527  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        7.143   2.880   2.050  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  20  24
ENDBRANCH   8  18
TORSDOF 9