REMARK  Name = BDB048238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.813   0.240   0.206  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.591  -0.346  -0.169  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.360   0.263   0.170  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.398   1.458   0.888  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -0.901   1.855   1.099  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.168   2.691   1.598  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.782   0.959   0.548  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.185   0.957   0.524  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.169   1.957   1.068  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.461   1.129   1.076  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.342   0.109  -0.067  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.862  -0.088  -0.123  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -3.137  -1.080  -0.726  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -3.561  -2.259  -1.478  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -4.708  -2.579  -1.717  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -2.423  -2.903  -1.847  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -2.411  -3.752  -2.388  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -1.298  -2.260  -1.426  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -0.153  -2.609  -1.631  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -1.745  -1.076  -0.694  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        1.591   2.070   1.282  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.019  -0.059  -0.054  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.790   1.440   0.928  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  28
ATOM     24  C   LIG    1        7.735  -0.258   0.302  0.00  0.00    +0.073 C 
ATOM     25  C   LIG    1        6.319  -0.542  -0.054  0.00  0.00    +0.076 A 
ATOM     26  S   LIG    1        5.940  -1.853  -1.093  0.00  0.00    -0.080 S 
ATOM     27  C   LIG    1        4.276  -1.462  -0.957  0.00  0.00    +0.075 A 
ATOM     28  C   LIG    1        4.104  -0.366  -0.131  0.00  0.00    +0.078 A 
ATOM     29  N   LIG    1        5.290   0.155   0.377  0.00  0.00    -0.244 NA
ENDBRANCH   1  28
TORSDOF 1