REMARK  Name = BDB016219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.226  -2.273   1.338  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -1.975  -1.008   0.925  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.043  -0.213   0.193  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.276   1.136   0.209  0.00  0.00    +0.154 A 
ATOM      5  C   LIG    1       -2.557   1.722   0.162  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.663   3.124   0.191  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.536   3.938   0.249  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.274   3.360   0.269  0.00  0.00    +0.017 A 
ATOM      9  N   LIG    1       -3.795   1.054   0.069  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.624   1.638   0.036  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.142  -0.256  -0.003  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.340  -0.533  -0.107  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.125   1.963   0.238  0.00  0.00    +0.080 A 
ATOM     14  C   LIG    1       -3.113  -1.342  -0.010  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.295   1.456   0.267  0.00  0.00    +0.252 C 
ATOM     16  N   LIG    1        1.489   0.153  -0.142  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        0.650  -0.360  -0.390  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        2.177   2.230   0.628  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.697  -0.569  -0.220  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.616  -1.901  -0.645  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.765  -2.689  -0.749  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.008  -2.151  -0.429  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.099  -0.827  -0.006  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.948  -0.038   0.098  0.00  0.00    +0.023 A 
ENDBRANCH  16  19
ENDBRANCH  13  15
TORSDOF 2