REMARK  Name = BDB029413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.401  -0.850   0.057  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -5.219  -0.555   0.119  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -4.700   0.629   0.627  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -5.280   1.367   0.998  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -3.318   0.645   0.551  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.864  -0.540  -0.016  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -1.510  -0.763  -0.199  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -0.604   0.236   0.198  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -1.089   1.427   0.774  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -2.461   1.643   0.955  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.037  -1.415  -0.344  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.768  -0.034  -0.001  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1        0.978  -0.928  -0.425  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        1.832   0.821   0.224  0.00  0.00    +0.248 C 
ATOM     15  O   LIG    1        1.775   1.994   0.568  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.174   0.231  -0.029  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.170   1.052  -0.558  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        5.414   0.496  -0.788  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        5.717  -0.792  -0.520  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        4.742  -1.557   0.017  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        3.464  -1.098   0.281  0.00  0.00    +0.033 A 
ENDBRANCH  14  16
ENDBRANCH   8  12
TORSDOF 2