REMARK  Name = BDB029434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.770  -0.220   1.132  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.360   0.064   0.567  0.00  0.00    +0.126 C 
ATOM      3  N   LIG    1       -1.346   0.353  -0.874  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -0.289   0.026  -1.721  0.00  0.00    +0.247 C 
ATOM      5  O   LIG    1       -0.377  -0.004  -2.946  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -2.617   0.727  -1.490  0.00  0.00    +0.108 C 
ATOM      7  C   LIG    1       -3.473   1.580  -0.563  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -3.716   0.944   0.810  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        1.028  -0.298  -1.127  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        1.669   0.616  -0.277  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        2.908   0.262   0.226  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        3.824   1.014   1.144  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1        5.008   0.049   1.278  0.00  0.00    +0.222 C 
ATOM     14  N   LIG    1        4.727  -1.071   0.505  0.00  0.00    -0.285 N 
ATOM     15  H   LIG    1        5.362  -1.850   0.421  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        6.016   0.222   1.942  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        3.496  -0.955  -0.120  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.897  -1.859  -0.972  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.644  -1.516  -1.487  0.00  0.00    +0.015 A 
ENDBRANCH   4   9
BRANCH   1  20
ATOM     20  N   LIG    1       -3.327  -1.472   0.599  0.00  0.00    -0.326 NA
ATOM     21  H   LIG    1       -2.690  -2.246   0.784  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.202  -1.693   1.071  0.00  0.00    +0.119 HD
ENDBRANCH   1  20
TORSDOF 2