ENTRY       C00813                      Compound
ATOM        9
            1   C5x C    21.7307  -19.4338
            2   C1x C    21.7307  -20.8263
            3   N1x N    22.9208  -18.7437
            4   O5x O    20.5405  -18.7437
            5   C5x C    22.9208  -21.5291
            6   C5x C    24.1297  -19.4338
            7   N1x N    24.1297  -20.8263
            8   O5x O    22.9208  -23.0410
            9   O5x O    25.3199  -18.7374
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     5   8 2
            8     6   9 2
            9     6   7 1
///