ALIGN       21
            1     1:C1y  30:C1y
            2     2:N4y  33:N4y
            3     3:O2x  28:O2x
            4     4:C1y  31:C1y
            5     5:C8y  35:C8y
            6     6:C8x  36:C8x
            7     7:C1y  27:C1y
            8     8:C1y  29:C1y
            9     9:O1a  34:O1a
            10   10:N5x  37:N5x
            11   11:O5x  38:O5x
            12   12:C8x  39:C8x
            13   13:C1b  26:C1b
            14   14:O1a  32:O1a
            15   15:C8y  40:C8y
            16   16:O2b  23:O2b
            17   17:N1a  41:N1a
            18   18:P1b  22:P1b #M1
            19   19:O1c  24:O1c
            20   20:O1c  21:O2b #R1
            21   21:O1c  25:O1c
            -       *     7:C1z #D1
ENTRY1      
 COMPOUND  C00055
 ATOM      21
            1   C1y C     0.5000    0.1138
            2   N4y N     1.2931    0.3759
            3   O2x O    -0.1414    0.5897
            4   C1y C     0.2586   -0.6966
            5   C8y C     1.9138   -0.1759
            6   C8x C     1.4655    1.1828
            7   C1y C    -0.8172    0.0966
            8   C1y C    -0.5690   -0.6966
            9   O1a O     0.7448   -1.3621
            10  N5x N     2.7034    0.0828
            11  O5x O     1.7483   -0.9862
            12  C8x C     2.2483    1.4483
            13  C1b C    -1.6069    0.3517
            14  O1a O    -1.0621   -1.3586
            15  C8y C     2.8724    0.8966
            16  O2b O    -2.2172   -0.2034
            17  N1a N     3.6586    1.1517
            18  P1b P    -3.0414   -0.2034
            19  O1c O    -3.0448   -1.0276
            20  O1c O    -3.8655   -0.2034
            21  O1c O    -3.0448    0.6207
 BOND      22
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21    7   8 1
            22   12  15 1
ENTRY2      
 COMPOUND  C01064
 ATOM      41
            1   C1y C     1.8807   -3.2120
            2   C1y C     1.8807   -4.0305
            3   O2x O     2.5855   -2.7989
            4   C1c C     1.1794   -2.7920
            5   C1y C     2.5855   -4.4360
            6   N1b N     1.1794   -4.4360
            7   C1z C     3.2978   -3.2120
            8   C1c C     1.1863   -1.9735
            9   O1a O     0.4775   -3.2085
            10  C1x C     3.2978   -4.0305
            11  O1a O     2.5924   -5.2511
            12  C5a C     1.1863   -5.2511
            13  C6a C     3.7068   -2.5030
            14  C1b C     0.4809   -1.5680
            15  O1a O     1.8911   -1.5749
            16  O5a O     1.8911   -5.6607
            17  R   R     0.4809   -5.6641
            18  O6a O     4.5219   -2.4961
            19  O6a O     3.3047   -1.7948
            20  O1a O     0.4844   -0.7529
            21  O2b O     4.7125   -3.9042
            22  P1b P     5.4941   -3.9045
            23  O2b O     6.2633   -3.9045
            24  O1c O     5.4941   -4.6778
            25  O1c O     5.4941   -3.1278
            26  C1b C     7.0400   -3.9045
            27  C1y C     7.7788   -4.1336
            28  O2x O     8.4024   -3.6790
            29  C1y C     8.0250   -4.8724
            30  C1y C     9.0403   -4.1440
            31  C1y C     8.8121   -4.8724
            32  O1a O     7.5774   -5.4994
            33  N4y N     9.5329   -2.8471
            34  O1a O     9.2659   -5.4925
            35  C8y C     8.8569   -2.4519
            36  C8x C    10.2124   -2.4657
            37  N5x N     8.8603   -1.6752
            38  O5x O     8.1877   -2.8367
            39  C8x C    10.2124   -1.6787
            40  C8y C     9.5363   -1.2875
            41  N1a N     9.5363   -0.5100
 BOND      43
            1     7  21 1 #Up
            2     1   2 1
            3     1   3 1
            4     1   4 1 #Down
            5     2   5 1
            6     2   6 1 #Up
            7     3   7 1
            8     4   8 1
            9     4   9 1 #Down
            10    5  10 1
            11    5  11 1 #Down
            12    6  12 1
            13    7  13 1 #Down
            14    8  14 1
            15    8  15 1 #Up
            16   12  16 2
            17   12  17 1
            18   13  18 1
            19   13  19 2
            20   14  20 1
            21    7  10 1
            22   21  22 1
            23   22  23 1
            24   22  24 1
            25   22  25 2
            26   23  26 1
            27   27  26 1 #Up
            28   27  28 1
            29   27  29 1
            30   28  30 1
            31   29  31 1
            32   29  32 1 #Down
            33   30  33 1 #Up
            34   31  34 1 #Down
            35   33  35 1
            36   33  36 1
            37   35  37 1
            38   35  38 2
            39   36  39 2
            40   37  40 2
            41   40  41 1
            42   30  31 1
            43   39  40 1