REMARK  Name = BDB028329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.903   0.949   0.074  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        1.939  -0.175   0.190  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        2.464  -1.461   0.256  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.617  -2.567   0.369  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.233  -2.380   0.416  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.325  -1.092   0.351  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        3.923  -1.647   0.206  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1        4.426  -2.763   0.261  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        4.673  -0.502   0.096  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1        5.682  -0.610   0.061  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        0.548   0.008   0.237  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1        4.193   0.769   0.031  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.782  -0.897   0.401  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.459  -0.127  -0.554  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.849   0.047  -0.485  0.00  0.00    -0.004 A 
ATOM     16  C   LIG    1       -4.521  -0.583   0.552  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -3.915  -1.331   1.498  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1       -2.571  -1.468   1.400  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -4.583   0.851  -1.514  0.00  0.00    +0.192 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -4.014   2.149  -1.627  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1       -3.858   2.477  -0.725  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  22
ATOM     22  C   LIG    1        2.352   2.376   0.001  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.438   3.357  -0.115  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1        4.079   3.200   0.668  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1        4.003   3.096  -0.927  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5