REMARK  Name = BDB029417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.683  -0.292  -0.064  0.00  0.00    -0.041 C 
ATOM      2  C   LIG    1       -1.502  -1.787  -0.058  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1       -0.240  -2.208  -0.814  0.00  0.00    +0.116 C 
ATOM      4  N   LIG    1        0.901  -1.367  -0.479  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1        2.162  -1.942  -0.456  0.00  0.00    +0.403 C 
ATOM      6  O   LIG    1        2.369  -3.148  -0.520  0.00  0.00    -0.226 OA
ATOM      7  C   LIG    1        0.746   0.072  -0.642  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1       -0.654   0.527  -0.351  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   1  17
ATOM      9  O   LIG    1       -8.764   0.910  -0.553  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -7.590   0.915  -0.223  0.00  0.00    +0.222 C 
ATOM     11  N   LIG    1       -6.573   0.186  -0.829  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1       -6.734  -0.424  -1.616  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1       -5.354   0.416  -0.212  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -5.521   1.317   0.836  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -4.445   1.709   1.606  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -3.190   1.171   1.295  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -3.020   0.255   0.229  0.00  0.00    -0.020 A 
ATOM     18  C   LIG    1       -4.129  -0.129  -0.538  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1       -6.964   1.715   0.925  0.00  0.00    +0.133 C 
ENDBRANCH   1  17
BRANCH   5  20
ATOM     20  O   LIG    1        3.151  -1.016  -0.358  0.00  0.00    -0.445 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.466  -1.573  -0.323  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.446  -0.431  -0.226  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        6.059   0.083  -1.377  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        6.952   1.152  -1.285  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.233   1.722  -0.045  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.620   1.228   1.104  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.727   0.158   1.014  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 4