REMARK  Name = BDB050336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.002  -2.473   0.750  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.913  -1.716   0.486  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -0.844  -0.304   0.051  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.170   0.136  -0.091  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -2.459   1.435  -0.471  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -1.392   2.300  -0.711  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.064   1.857  -0.568  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -3.127  -0.964   0.222  0.00  0.00    +0.140 C 
ATOM      9  C   LIG    1        0.239   0.538  -0.179  0.00  0.00    +0.011 A 
ATOM     10  N   LIG    1       -2.250  -2.051   0.556  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1       -2.536  -2.974   0.853  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.637   0.133  -0.060  0.00  0.00    +0.047 A 
ATOM     13  N   LIG    1        2.568   0.871   0.641  0.00  0.00    -0.361 N 
ATOM     14  H   LIG    1        2.364   1.719   1.150  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1        3.800   0.276   0.568  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1        3.669  -0.873  -0.176  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        2.311  -0.964  -0.568  0.00  0.00    +0.027 A 
ENDBRANCH   9  12
TORSDOF 1