REMARK  Name = BDB031603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.711  -0.508  -0.433  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.431  -0.521   0.543  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.235  -0.795  -1.391  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.069  -0.996  -2.566  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.684  -0.920  -0.911  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1        2.023  -0.014   0.249  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.220  -0.539   1.531  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        2.536   0.307   2.595  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        2.637   1.683   2.393  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.431   2.216   1.123  0.00  0.00    +0.001 A 
ATOM     11  O   LIG    1        2.150  -1.871   1.831  0.00  0.00    -0.492 OA
ATOM     12  C   LIG    1        1.537  -2.700   0.842  0.00  0.00    +0.230 C 
ATOM     13  C   LIG    1        2.128   1.372   0.054  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.004  -2.374  -0.566  0.00  0.00    +0.058 C 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -3.642   2.821   1.217  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -3.293   1.848   0.555  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -3.557   0.573   0.986  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -3.996   0.520   1.895  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -2.902  -0.566   0.587  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.828  -1.536   1.340  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.136  -0.498  -0.738  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -2.567   0.720  -1.554  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -2.484   1.983  -0.712  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2