ALIGN       29
            1     1:C1c   1:C1c
            2     2:S2a   3:S2a
            3     3:C1c   2:C1c
            4     4:C2b   4:C2b
            5     5:C1b   7:C1b
            6     6:C1b   5:C1b
            7     7:O1a   6:O1a
            8     8:C2b   8:C2b
            9     9:C1c  10:C1c #M1
            10   10:C1b   9:C1b
            11   11:C2b  11:C2b
            12   12:C5a  13:C6a #R1
            13   13:N1a  14:N1a
            14   14:C1b  12:C1b
            15   15:C2b  15:C2b
            16   17:O5a  18:O6a #M1
            17   18:C6a  16:C6a
            18   19:C2b  19:C2b
            19   21:O6a  21:O6a
            20   22:O6a  20:O6a
            21   23:C2b  22:C2b
            22   25:C1b  23:C1b
            23   28:C2b  24:C2b
            24   29:C2b  25:C2b
            25   30:C1b  26:C1b
            26   31:C1b  27:C1b
            27   32:C1b  28:C1b
            28   33:C1b  29:C1b
            29   34:C1a  30:C1a
            -    16:N1b     *   #D1
            -       *    17:O6a #D1
ENTRY1      
 COMPOUND  C05951
 ATOM      34
            1   C1c C    -0.3483    0.9862
            2   S2a S     0.0241   -0.0034
            3   C1c C     0.3276    1.3793
            4   C2b C    -1.0379    1.3793
            5   C1b C     0.8103    0.0000
            6   C1b C     1.0138    0.9862
            7   O1a O     0.3310    2.1690
            8   C2b C    -1.7138    0.9897
            9   C1c C     1.2000   -0.6862
            10  C1b C     1.7000    1.3759
            11  C2b C    -2.4000    1.3828
            12  C5a C     1.9862   -0.6828
            13  N1a N     0.8138   -1.3724
            14  C1b C     2.3793    0.9828
            15  C2b C    -3.0862    0.9897
            16  N1b N     2.3862   -1.3690
            17  O5a O     2.3862    0.0000
            18  C6a C     3.0621    1.3759
            19  C2b C    -3.7690    1.3828
            20  C1b C     3.1724   -1.3690
            21  O6a O     3.7483    0.9828
            22  O6a O     3.0621    2.1862
            23  C2b C    -4.5552    1.3793
            24  C6a C     3.5655   -2.0552
            25  C1b C    -5.2276    0.0586
            26  O6a O     4.3517   -2.0517
            27  O6a O     3.1759   -2.7310
            28  C2b C    -4.6000   -1.2931
            29  C2b C    -3.8138   -1.2897
            30  C1b C    -3.1345   -0.8897
            31  C1b C    -2.4448   -1.2793
            32  C1b C    -1.7690   -0.8793
            33  C1b C    -1.0759   -1.2724
            34  C1a C    -0.5138   -0.7586
 BOND      33
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Up
            7     4   8 2
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    9  12 1
            12    9  13 1 #Up
            13   10  14 1
            14   11  15 2
            15   12  16 1
            16   12  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   18  22 2
            22   19  23 2
            23   20  24 1
            24   23  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
ENTRY2      
 COMPOUND  C05952
 ATOM      30
            1   C1c C     0.1276    0.7138
            2   C1c C     0.8034    1.1035
            3   S2a S     0.5000   -0.2793
            4   C2b C    -0.5621    1.1069
            5   C1b C     1.4897    0.7103
            6   O1a O     0.8069    1.8966
            7   C1b C     1.2862   -0.2759
            8   C2b C    -1.2379    0.7138
            9   C1b C     2.1759    1.1035
            10  C1c C     1.6759   -0.9586
            11  C2b C    -1.9241    1.1069
            12  C1b C     2.8552    0.7103
            13  C6a C     2.4621   -0.9586
            14  N1a N     1.2897   -1.6448
            15  C2b C    -2.6103    0.7172
            16  C6a C     3.5379    1.1000
            17  O6a O     2.8621   -1.6414
            18  O6a O     2.8621   -0.2724
            19  C2b C    -3.2931    1.1103
            20  O6a O     4.2207    0.7069
            21  O6a O     3.5379    1.9138
            22  C2b C    -4.0793    1.1035
            23  C1b C    -4.7517   -0.2172
            24  C2b C    -4.1276   -1.5655
            25  C2b C    -3.3379   -1.5621
            26  C1b C    -2.6586   -1.1621
            27  C1b C    -1.9690   -1.5552
            28  C1b C    -1.2931   -1.1552
            29  C1b C    -0.6034   -1.5448
            30  C1a C    -0.0414   -1.0345
 BOND      29
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 1 #Up
            14   11  15 2
            15   12  16 1
            16   13  17 1
            17   13  18 2
            18   15  19 1
            19   16  20 1
            20   16  21 2
            21   19  22 2
            22   22  23 1
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1