REMARK  Name = BDB048148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.339   1.689   0.371  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.917   1.500  -0.255  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.583   2.660  -0.630  0.00  0.00    +0.114 A 
ATOM      4  S   LIG    1       -3.067   2.359  -1.412  0.00  0.00    -0.073 S 
ATOM      5  C   LIG    1       -2.877   0.680  -1.252  0.00  0.00    -0.004 A 
ATOM      6  C   LIG    1       -3.920  -0.277  -1.741  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.358  -1.705  -1.790  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -2.566  -2.040  -0.521  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -1.358  -1.107  -0.341  0.00  0.00    +0.037 C 
ATOM     10  N   LIG    1       -1.171   3.924  -0.441  0.00  0.00    -0.228 NA
ATOM     11  C   LIG    1        0.003   3.981   0.183  0.00  0.00    +0.224 A 
ATOM     12  C   LIG    1       -1.705   0.333  -0.601  0.00  0.00    -0.025 A 
ATOM     13  N   LIG    1        0.765   2.955   0.589  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        1.140   0.621   0.776  0.00  0.00    -0.321 N 
ATOM     15  H   LIG    1        1.025  -0.188   0.177  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.547   0.936   0.993  0.00  0.00    +0.177 C 
BRANCH  16  19
ATOM     17  C   LIG    1        4.631  -1.974   2.003  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        4.048  -0.739   2.375  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.368  -0.280   1.266  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1        3.497  -1.172   0.238  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        4.267  -2.193   0.695  0.00  0.00    +0.195 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 3