ATOM        17
            1   C1y C    36.5219  -21.8625
            2   O2x O    35.3591  -21.1964
            3   C1y C    36.5219  -23.1888
            4   O2a O    37.6848  -21.1964
            5   C1y C    34.1904  -21.8625
            6   C1y C    35.3591  -23.8726
            7   O1a O    37.6848  -23.8726
            8   C1b C    39.0928  -21.6804
            9   C1y C    34.1904  -23.1888
            10  C1b C    33.0510  -21.1964
            11  O1a O    35.3591  -25.2106
            12  N2b N    40.5707  -20.4389
            13  O1a O    33.0510  -23.8726
            14  O1a O    32.0225  -22.0553
            15  N2b N    41.9146  -20.3922 #+
            16  C1a C    42.8788  -18.9430
            17  O3a O    43.1418  -21.9581 #-
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    9  13 1 #Down
            13   10  14 1
            14   12  15 2
            15   15  16 1
            16   15  17 1
            17    6   9 1

COMPOUND: C01418