REMARK  Name = BDB048225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.747  -0.366  -0.556  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.579   0.132   0.046  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.307  -0.220  -0.458  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.254  -1.043  -1.583  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.071  -1.222  -1.900  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.402  -1.771  -2.680  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.881  -0.555  -1.016  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.280  -0.458  -0.955  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.335  -1.025  -1.865  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.586  -0.903  -0.984  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.363   0.306  -0.062  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.875   0.300   0.065  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -3.075   0.934   0.978  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -3.406   1.781   2.122  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -4.524   2.086   2.484  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -2.221   2.137   2.684  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -2.144   2.706   3.512  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -1.151   1.591   2.041  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        0.014   1.707   2.362  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -1.688   0.827   0.917  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        1.397  -1.539  -2.219  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.043   0.085  -0.085  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.640  -1.185  -1.685  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  26
ATOM     24  C   LIG    1        3.674  -0.274   2.524  0.00  0.00    +0.054 C 
ATOM     25  C   LIG    1        4.442   0.021   1.282  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        4.073  -0.018  -0.055  0.00  0.00    +0.083 A 
ATOM     27  N   LIG    1        5.095   0.264  -0.952  0.00  0.00    -0.225 NA
ATOM     28  C   LIG    1        6.191   0.575  -0.310  0.00  0.00    +0.156 A 
ATOM     29  S   LIG    1        6.091   0.498   1.397  0.00  0.00    -0.057 S 
BRANCH  28  30
ATOM     30  N   LIG    1        7.335   0.907  -0.932  0.00  0.00    -0.338 N 
ATOM     31  H   LIG    1        8.196   0.745  -0.426  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        7.376   0.640  -1.909  0.00  0.00    +0.144 HD
ENDBRANCH  28  30
ENDBRANCH   1  26
TORSDOF 2