ALIGN       1
            1     1:O0   49:O1a #R1
            -       *    41:C1b #D1
ENTRY1      
 COMPOUND  C00001
 ATOM      1
            1   O0  O    22.1250  -16.2017
 BOND      0
ENTRY2      
 COMPOUND  C01024
 ATOM      61
            1   C8y C     1.5345    0.5621
            2   C8y C     1.9035    1.2138
            3   C1b C     1.9241   -0.1069
            4   N4x N     0.7966    0.5517
            5   C8y C     1.4448    1.6897
            6   C1b C     2.6483    1.3069
            7   C8y C     1.5621   -0.7448
            8   C8y C     0.7966    1.3103
            9   C1b C     1.5483    2.4310
            10  C1b C     2.9379    2.0000
            11  C8y C     1.9414   -1.3931
            12  N4x N     0.7862   -0.7517
            13  C1b C     0.1379    1.6862
            14  C6a C     0.9586    2.8931
            15  C6a C     3.6828    2.0931
            16  C8y C     1.4345   -1.8828
            17  C1b C     2.6862   -1.4931
            18  C8y C     0.7862   -1.5103
            19  C8y C    -0.5103    1.3103
            20  O6a O     1.0621    3.6345
            21  O6a O     0.2621    2.6069
            22  O6a O     4.1345    1.4966
            23  O6a O     3.9724    2.7862
            24  C1b C     1.5276   -2.6276
            25  C6a C     2.9690   -2.1862
            26  C1b C     0.1276   -1.8931
            27  C8y C    -1.1586    1.6862
            28  N4x N    -0.5103    0.5517
            29  C1b C     0.9310   -3.0793
            30  O6a O     2.5069   -2.7793
            31  O6a O     3.7138   -2.2862
            32  C8y C    -0.5241   -1.5103
            33  C8y C    -1.6379    1.2069
            34  C1b C    -1.2586    2.4310
            35  C8y C    -1.2690    0.5552
            36  C6a C     1.0207   -3.8241
            37  C8y C    -1.1759   -1.8759
            38  N4x N    -0.5103   -0.7552
            39  C1b C    -2.3828    1.3035
            40  C1b C    -0.6655    2.8862
            41  C1b C    -1.6517   -0.0966
            42  O6a O     0.4207   -4.2724
            43  O6a O     1.7138   -4.1138
            44  C8y C    -1.6448   -1.4034
            45  C1b C    -1.2828   -2.6172
            46  C8x C    -1.2690   -0.7552
            47  C6a C    -2.6690    1.9966
            48  C6a C    -0.7621    3.6310
            49  O1a O    -2.4035   -0.0862
            50  C1b C    -2.3862   -1.5000
            51  C6a C    -1.9759   -2.9000
            52  O6a O    -2.2103    2.5897
            53  O6a O    -3.4138    2.0966
            54  O6a O    -0.1655    4.0862
            55  O6a O    -1.4552    3.9138
            56  C1b C    -2.8414   -0.9034
            57  O6a O    -2.5655   -2.4345
            58  O6a O    -2.0793   -3.6414
            59  C6a C    -3.5862   -1.0000
            60  O6a O    -4.0379   -0.4034
            61  O6a O    -3.8724   -1.6931
 BOND      64
            1     1   2 2
            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     5   9 1
            9     6  10 1
            10    7  11 2
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 1
            19   14  20 1
            20   14  21 2
            21   15  22 1
            22   15  23 2
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   19  27 2
            27   19  28 1
            28   24  29 1
            29   25  30 1
            30   25  31 2
            31   26  32 1
            32   27  33 1
            33   27  34 1
            34   28  35 1
            35   29  36 1
            36   32  37 2
            37   32  38 1
            38   33  39 1
            39   34  40 1
            40   35  41 1
            41   36  42 1
            42   36  43 2
            43   37  44 1
            44   37  45 1
            45   38  46 1
            46   39  47 1
            47   40  48 1
            48   41  49 1
            49   44  50 1
            50   45  51 1
            51   47  52 1
            52   47  53 2
            53   48  54 1
            54   48  55 2
            55   50  56 1
            56   51  57 1
            57   51  58 2
            58   56  59 1
            59   59  60 1
            60   59  61 2
            61    5   8 2
            62   16  18 2
            63   33  35 2
            64   44  46 2