ALIGN       12
            1     1:C1y  16:C1y
            2     2:C1y  20:C1y
            3     3:O2x  12:O2x
            4     4:C1b  21:C1b
            5     5:C1y  17:C1y
            6     6:O1a  25:O1a
            7     7:C1y   7:C1y #M1
            8     8:O1a  26:O1a
            9     9:C1y  13:C1y
            10   10:O1a  22:O1a
            11   11:O1a   3:O2a #R1
            12   12:O1a  18:O1a
            -       *     1:C1y #D1
ENTRY1      
 COMPOUND  C00031
 ATOM      12
            1   C1y C    -0.5448    0.5276
            2   C1y C    -0.5448   -0.3000
            3   O2x O     0.1690    0.9414
            4   C1b C    -1.2621    0.9414
            5   C1y C     0.1690   -0.7138
            6   O1a O    -1.2621   -0.7138
            7   C1y C     0.8897    0.5276
            8   O1a O    -1.8897    0.4034
            9   C1y C     0.8897   -0.3000
            10  O1a O     0.1690   -1.5414
            11  O1a O     1.6035    0.9414
            12  O1a O     1.6035   -0.7138
 BOND      12
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 1 #Either
            11    9  12 1 #Down
            12    7   9 1
ENTRY2      
 COMPOUND  C06219
 ATOM      34
            1   C1y C    -0.4379   -0.2690
            2   C1y C    -0.4379    0.4793
            3   O2a O    -1.1931   -0.6621
            4   C1y C     0.2103   -0.6448
            5   O2x O     0.2103    0.8552
            6   C1b C    -1.0897    0.8552
            7   C1y C    -1.8345   -1.0414
            8   C1y C     0.8586   -0.2690
            9   O1a O     0.2034   -1.3931
            10  C1y C     0.8586    0.4793
            11  O1a O    -1.7379    0.4862
            12  O2x O    -2.4862   -0.6655
            13  C1y C    -1.8345   -1.7897
            14  O1a O     1.5035   -0.6448
            15  O2a O     1.5035    0.8586
            16  C1y C    -3.1345   -1.0414
            17  C1y C    -2.4862   -2.1655
            18  O1a O    -1.1931   -2.1655
            19  C1y C     2.1517    1.2310
            20  C1y C    -3.1345   -1.7897
            21  C1b C    -3.7862   -0.6655
            22  O1a O    -2.4931   -2.9138
            23  C1y C     2.1517    1.9793
            24  C1y C     2.8034    0.8552
            25  O1a O    -3.7862   -2.1621
            26  O1a O    -4.4345   -1.0345
            27  O2x O     2.8034    2.3552
            28  C1b C     1.5035    2.3552
            29  C1y C     3.4517    1.2310
            30  O1a O     2.7931    0.1069
            31  C1y C     3.4517    1.9793
            32  O1a O     0.8517    1.9862
            33  O1a O     4.0931    0.8552
            34  O1a O     4.0931    2.3586
 BOND      36
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Up
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   19  15 1 #Down
            19   16  20 1
            20   16  21 1 #Up
            21   17  22 1 #Up
            22   19  23 1
            23   19  24 1
            24   20  25 1 #Down
            25   21  26 1
            26   23  27 1
            27   23  28 1 #Up
            28   24  29 1
            29   24  30 1 #Up
            30   27  31 1
            31   28  32 1
            32   29  33 1 #Down
            33   31  34 1 #Up
            34    8  10 1
            35   17  20 1
            36   29  31 1