ALIGN       35
            1     1:C1y  10:C1y
            2     2:O2x   5:O2x
            3     3:O2a  15:O2a
            4     4:C1y   8:C1y
            5     5:C1y   2:C1y
            6     6:C1b  19:C1b
            7     7:C1y   4:C1y
            8     8:O1a  14:O1a
            9     9:C1y   1:C1y #M1
            10   10:C1b   6:C1b
            11   11:C1c  23:C1c
            12   12:O1a   9:O1a
            13   13:O1a   3:O2a #R1
            14   14:O1a  11:O1a
            15   15:C1c  26:C1c
            16   16:N1b  27:N1b
            17   17:C2b  28:C2b
            18   18:O1a  29:O1a
            19   19:C5a  30:C5a
            20   20:C2b  31:C2b
            21   21:O5a  32:O5a
            22   22:R    33:R  
            23   23:C1b  34:C1b
            24   24:C1b  35:C1b
            25   25:C1b  36:C1b
            26   26:C1b  37:C1b
            27   27:C1b  38:C1b
            28   28:C1b  39:C1b
            29   29:C1b  40:C1b
            30   30:C1b  41:C1b
            31   31:C1b  42:C1b
            32   32:C1b  43:C1b
            33   33:C1b  44:C1b
            34   34:C1b  45:C1b
            35   35:C1a  46:C1a
            -       *     7:C1y #D1
ENTRY1      
 COMPOUND  C01190
 ATOM      35
            1   C1y C    -3.0138    0.0172
            2   O2x O    -3.5621    0.3379
            3   O2a O    -2.3759    0.3069
            4   C1y C    -3.0172   -0.6172
            5   C1y C    -4.1069    0.0172
            6   C1b C    -1.8035   -0.1000
            7   C1y C    -3.5621   -0.9379
            8   O1a O    -2.4621   -0.9414
            9   C1y C    -4.1103   -0.6172
            10  C1b C    -4.6517    0.3379
            11  C1c C    -1.2828    0.2034
            12  O1a O    -3.5655   -1.5724
            13  O1a O    -4.6517   -0.9379
            14  O1a O    -5.1379   -0.0759
            15  C1c C    -0.7552   -0.1000
            16  N1b N    -1.2828    0.8103
            17  C2b C    -0.2241    0.2034
            18  O1a O    -0.7552   -0.7069
            19  C5a C    -0.7586    1.1103
            20  C2b C     0.3000   -0.1000
            21  O5a O    -0.7586    1.7172
            22  R   R    -0.2345    0.8103
            23  C1b C     0.8241    0.2034
            24  C1b C     1.3448   -0.1000
            25  C1b C     1.8793    0.2034
            26  C1b C     2.4035   -0.1000
            27  C1b C     2.9310    0.2034
            28  C1b C     3.4552   -0.1000
            29  C1b C     3.9862    0.2034
            30  C1b C     4.5069   -0.1000
            31  C1b C     5.0310    0.2034
            32  C1b C     5.5655   -0.1000
            33  C1b C     6.0862    0.2034
            34  C1b C     6.6172   -0.1000
            35  C1a C     7.1379    0.2034
 BOND      35
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1
            11    7  12 1 #Up
            12    9  13 1 #Down
            13   10  14 1
            14   11  15 1
            15   11  16 1 #Down
            16   15  17 1
            17   15  18 1 #Up
            18   16  19 1
            19   17  20 2
            20   19  21 2
            21   19  22 1
            22   20  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35    7   9 1
ENTRY2      
 COMPOUND  C01290
 ATOM      46
            1   C1y C    -2.2379   -0.2310
            2   C1y C    -2.2241    0.2862
            3   O2a O    -2.7000   -0.4828
            4   C1y C    -1.8000   -0.5034
            5   O2x O    -1.7759    0.5345
            6   C1b C    -2.6759    0.5552
            7   C1y C    -3.1448   -0.7345
            8   C1y C    -1.3379   -0.2517
            9   O1a O    -1.8138   -1.0241
            10  C1y C    -1.3241    0.2655
            11  O1a O    -3.1207    0.2828
            12  O2x O    -3.5966   -0.4655
            13  C1y C    -3.1621   -1.2586
            14  O1a O    -0.8931   -0.5276
            15  O2a O    -0.8655    0.5103
            16  C1y C    -4.0517   -0.7138
            17  C1y C    -3.6207   -1.5035
            18  O1a O    -2.7828   -1.4483
            19  C1b C    -0.4103    0.2517
            20  C1y C    -4.0621   -1.2379
            21  C1b C    -4.4966   -0.4448
            22  O1a O    -3.6345   -2.0276
            23  C1c C     0.0414    0.5207
            24  O1a O    -4.5310   -1.4897
            25  O1a O    -4.9414   -0.7138
            26  C1c C     0.5034    0.2621
            27  N1b N     0.0379    1.0448
            28  C2b C     0.9586    0.5310
            29  O1a O     0.5069   -0.2621
            30  C5a C     0.4862    1.3103
            31  C2b C     1.4138    0.2724
            32  O5a O     0.4793    1.8345
            33  R   R     0.9448    1.0552
            34  C1b C     1.8655    0.5379
            35  C1b C     2.3241    0.2793
            36  C1b C     2.7793    0.5483
            37  C1b C     3.2345    0.2897
            38  C1b C     3.6897    0.5586
            39  C1b C     4.1483    0.3034
            40  C1b C     4.6000    0.5690
            41  C1b C     5.0586    0.3103
            42  C1b C     5.5103    0.5759
            43  C1b C     5.9724    0.3207
            44  C1b C     6.4241    0.5828
            45  C1b C     6.8828    0.3276
            46  C1a C     7.3345    0.5931
 BOND      47
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Up
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   15  19 1
            19   16  20 1
            20   16  21 1 #Up
            21   17  22 1 #Up
            22   19  23 1
            23   20  24 1 #Up
            24   21  25 1
            25   23  26 1
            26   23  27 1 #Down
            27   26  28 1
            28   26  29 1 #Up
            29   27  30 1
            30   28  31 2
            31   30  32 2
            32   30  33 1
            33   31  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46    8  10 1
            47   17  20 1