ALIGN       24
            1     1:N4y   2:N4y
            2     2:C8y   1:C8y
            3     3:C1y   5:C1y
            4     4:C8x   6:C8x
            5     5:C8y   3:C8y
            6     6:N5x   4:N5x
            7     7:O2x  10:O2x
            8     8:C1y  11:C1y
            9     9:N5x   7:N5x
            10   10:C8y   8:C8y
            11   11:C8y   9:C8y
            12   12:C1y  15:C1y
            13   13:C1y  16:C1y
            14   14:O1a  17:O1a
            15   15:N4x  12:N4x
            16   16:O5x  13:O5x
            17   17:N1a  14:N1a
            18   18:C1b  18:C1b
            19   19:O1a  19:O1a
            20   20:O2b  20:O2b
            21   21:P1b  21:P1b #M1
            22   22:O2c  22:O1c #R1
            23   23:O1c  23:O1c
            24   24:O1c  24:O1c
            -    25:P1b     *   #D1
ENTRY1      
 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
ENTRY2      
 COMPOUND  C00144
 ATOM      24
            1   C8y C     1.4552    0.1103
            2   N4y N     0.8276    0.5517
            3   C8y C     2.1862    0.6517
            4   N5x N     1.5345   -0.7276
            5   C1y C     0.0690    0.3000
            6   C8x C     1.1103    1.3724
            7   N5x N     1.9655    1.3690
            8   C8y C     2.9241    0.3207
            9   C8y C     2.3138   -1.0690
            10  O2x O    -0.6000    0.8069
            11  C1y C    -0.1862   -0.4379
            12  N4x N     3.0207   -0.5552
            13  O5x O     3.5793    0.8103
            14  N1a N     2.4035   -1.8862
            15  C1y C    -1.2517    0.3345
            16  C1y C    -1.0035   -0.4379
            17  O1a O     0.2931   -1.1035
            18  C1b C    -2.0310    0.5931
            19  O1a O    -1.2621   -1.2138
            20  O2b O    -2.6483    0.0414
            21  P1b P    -3.4690    0.0414
            22  O1c O    -3.4724   -0.7793
            23  O1c O    -4.2897    0.0414
            24  O1c O    -3.4724    0.8621
 BOND      26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     5   2 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    8  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   15  18 1 #Up
            18   16  19 1 #Down
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   21  24 2
            24    6   7 2
            25    9  12 1
            26   15  16 1