REMARK  Name = BDB048219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.659   0.222   0.566  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        2.473  -0.483   0.283  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.229   0.184   0.267  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        1.222   1.557   0.521  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -0.080   1.984   0.436  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -0.376   2.940   0.572  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.922   0.941   0.143  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -2.314   0.916  -0.036  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -3.320   2.034   0.002  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -4.630   1.250   0.159  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -4.418  -0.110  -0.522  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.948  -0.298  -0.338  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -2.192  -1.433  -0.458  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -2.570  -2.809  -0.771  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -3.696  -3.207  -0.993  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -1.419  -3.530  -0.757  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -1.376  -4.522  -0.925  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -0.329  -2.772  -0.452  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        0.812  -3.173  -0.342  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -0.812  -1.404  -0.271  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        2.384   2.287   0.795  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -0.128  -0.215   0.032  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.599   1.597   0.812  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1        4.982  -0.501   0.566  0.00  0.00    +0.113 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.550  -0.560  -0.773  0.00  0.00    -0.326 NA
ATOM     26  H   LIG    1        6.484  -0.958  -0.725  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1        5.648   0.385  -1.137  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 2