ALIGN       3
            1    49:C5a   9:C5a #R1
            2    50:C1a  10:C1a #M1
            3    51:O5a  11:O5a #M1
            -    48:S2a     *   #D1
            -       *     6:N1b #D1
ENTRY1      
 COMPOUND  C00024
 ATOM      51
            1   N4y N     0.7379    1.7724
            2   C1y C     0.0034    1.5345
            3   C8y C     2.0690    1.7724
            4   C8x C     0.7379    2.5483
            5   O2x O    -0.6207    1.9931
            6   C1y C    -0.2379    0.8069
            7   C8y C     2.0724    2.5483
            8   N5x N     2.7345    1.3862
            9   N5x N     1.4034    2.9310
            10  C1y C    -1.2448    1.5345
            11  C1y C    -1.0069    0.8069
            12  O1a O     0.2172    0.1828
            13  C8y C     2.7379    2.9276
            14  C8x C     3.4000    1.7655
            15  C1b C    -1.9793    1.7759
            16  O2b O    -1.4034    0.2172
            17  N5x N     3.4034    2.5414
            18  N1a N     2.7414    3.6931
            19  O2b O    -3.0862    1.2000
            20  P1b P    -2.4207    0.2172
            21  P1b P    -3.8586    1.2000
            22  O1c O    -3.2276    0.2172
            23  O1c O    -2.4207    1.1172
            24  O1c O    -2.4207   -0.5552
            25  O2c O    -3.8448   -0.3483
            26  O1c O    -3.8621    1.9724
            27  O1c O    -4.6276    1.2069
            28  P1b P    -3.8655   -1.7414
            29  O2b O    -3.0897   -1.7414
            30  O1c O    -3.8690   -2.5103
            31  O1c O    -4.6379   -1.7414
            32  C1b C    -2.4276   -1.3517
            33  C1d C    -1.7621   -1.7414
            34  C1c C    -1.1000   -1.3517
            35  C1a C    -1.7621   -2.5103
            36  C1a C    -1.7655   -0.9724
            37  C5a C    -0.4310   -1.7414
            38  O1a O    -1.1000   -0.5862
            39  N1b N     0.2345   -1.3517
            40  O5a O    -0.4310   -2.5103
            41  C1b C     0.8966   -1.7414
            42  C1b C     1.5621   -1.3517
            43  C5a C     2.2276   -1.7414
            44  N1b N     2.8931   -1.3517
            45  O5a O     2.2276   -2.5103
            46  C1b C     3.5552   -1.7414
            47  C1b C     4.2207   -1.3517
            48  S2a S     4.8793   -1.7345
            49  C5a C     5.6103   -1.3345
            50  C1a C     6.3207   -1.7552
            51  O5a O     5.6172   -0.5103
 BOND      53
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51    7   9 1
            52   10  11 1
            53   14  17 1
ENTRY2      
 COMPOUND  C06442
 ATOM      11
            1   C1b C     0.2586    0.3000
            2   C1c C     0.9759   -0.1069
            3   C1b C    -0.4552   -0.1103
            4   C6a C     1.6931    0.3069
            5   N1a N     0.9724   -0.9379
            6   N1b N    -1.1724    0.2966
            7   O6a O     2.4103   -0.1034
            8   O6a O     1.6897    1.1345
            9   C5a C    -1.8897   -0.1172
            10  C1a C    -2.6034    0.2966
            11  O5a O    -1.8931   -0.9414
 BOND      10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Up
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     6   9 1
            9     9  10 1
            10    9  11 2