ALIGN       9
            1     1:P1b  29:P1b
            2     2:O2c  26:O2c
            3     3:O1c  31:O1c
            4     4:O1c  30:O1c
            5     5:O1c  32:O1c
            6     6:P1b  25:P1b #M1
            7     7:O1c  27:O1c
            8     8:O1c  22:O2c #R1
            9     9:O1c  28:O1c
            -       *    21:P1b #D1
ENTRY1      
 COMPOUND  C00013
 ATOM      9
            1   P1b P    20.8276  -16.2868
            2   O2c O    22.1198  -16.2985
            3   O1c O    19.6172  -16.2985
            4   O1c O    20.8859  -17.6960
            5   O1c O    20.8625  -14.6847
            6   P1b P    23.4941  -16.3043
            7   O1c O    23.5409  -17.7017
            8   O1c O    24.7806  -16.2868
            9   O1c O    23.5115  -14.6787
 BOND      8
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     6   7 1
            7     6   8 1
            8     6   9 2
ENTRY2      
 COMPOUND  C00044
 ATOM      32
            1   N4y N     2.3724    0.5379
            2   C8y C     2.9966    0.0966
            3   C1y C     1.6103    0.2862
            4   C8x C     2.6483    1.3586
            5   C8y C     3.7241    0.6379
            6   N5x N     3.0759   -0.7414
            7   O2x O     0.9379    0.7931
            8   C1y C     1.3552   -0.4517
            9   N5x N     3.5034    1.3552
            10  C8y C     4.4621    0.3069
            11  C8y C     3.8586   -1.0828
            12  C1y C     0.2862    0.3207
            13  C1y C     0.5414   -0.4517
            14  O1a O     1.8310   -1.1172
            15  N4x N     4.5586   -0.5690
            16  O5x O     5.1138    0.7966
            17  N1a N     3.9483   -1.9000
            18  C1b C    -0.4931    0.5793
            19  O1a O     0.2759   -1.2276
            20  O2b O    -1.1069    0.0310
            21  P1b P    -1.9310    0.0310
            22  O2c O    -2.7586    0.0310
            23  O1c O    -1.9379   -0.7931
            24  O1c O    -1.9379    0.8552
            25  P1b P    -3.5828    0.0345
            26  O2c O    -4.4069    0.0345
            27  O1c O    -3.5862   -0.7897
            28  O1c O    -3.5862    0.8621
            29  P1b P    -5.2310    0.0414
            30  O1c O    -5.2379   -0.7862
            31  O1c O    -6.0586    0.0448
            32  O1c O    -5.2379    0.8655
 BOND      34
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   10  16 2
            16   11  17 1
            17   12  18 1 #Up
            18   13  19 1 #Down
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25   25  26 1
            26   25  27 1
            27   25  28 2
            28   26  29 1
            29   29  30 1
            30   29  31 1
            31   29  32 2
            32    5   9 1
            33   11  15 1
            34   12  13 1