REMARK  Name = BDB049743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.711  -0.827  -1.057  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        1.367  -0.305   0.064  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        0.584   0.325   1.040  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -0.813   0.385   0.924  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.476  -0.187  -0.164  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -0.688  -0.790  -1.156  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.821  -0.357   0.257  0.00  0.00    +0.113 A 
ATOM      8  S   LIG    1        3.674  -1.846   0.134  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        5.145  -1.044   0.520  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.879   0.307   0.741  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        5.948   1.161   1.081  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.244   0.647   1.187  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        7.486  -0.705   0.961  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.442  -1.573   0.625  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        3.554   0.682   0.604  0.00  0.00    -0.239 NA
ENDBRANCH   2   7
BRANCH   1  17
ATOM     16  C   LIG    1        1.762  -0.451  -3.064  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        1.394  -1.427  -2.086  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -2.869  -0.160  -0.341  0.00  0.00    -0.299 N 
ATOM     19  H   LIG    1       -3.201  -0.712  -1.119  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.913   0.423   0.394  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1       -5.260   0.220   0.021  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -6.229   0.840   0.795  0.00  0.00    +0.143 A 
ATOM     23  N   LIG    1       -7.457   0.525   0.281  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1       -8.329   0.856   0.669  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1       -7.307  -0.288  -0.814  0.00  0.00    +0.085 A 
ATOM     26  N   LIG    1       -6.035   1.619   1.866  0.00  0.00    -0.218 NA
ATOM     27  C   LIG    1       -4.727   1.751   2.135  0.00  0.00    +0.225 A 
ATOM     28  C   LIG    1       -5.956  -0.494  -0.999  0.00  0.00    +0.032 A 
ATOM     29  N   LIG    1       -3.683   1.211   1.476  0.00  0.00    -0.220 NA
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 4