ATOM        67
            1   C8y C    34.8661  -26.8847
            2   C8y C    34.8661  -25.4844
            3   C8x C    33.6759  -24.7843
            4   C8y C    32.4157  -25.4844
            5   C8x C    32.4157  -26.8847
            6   C8y C    33.6759  -27.5848
            7   C8x C    35.9863  -27.5848
            8   C8y C    37.2465  -26.8847
            9   C8y C    37.2465  -25.4844
            10  O2x O    35.9863  -24.7843 #+
            11  O2a O    33.6759  -28.9851
            12  O1a O    31.2254  -24.7843
            13  C8y C    38.4367  -24.7843
            14  C8x C    39.6269  -25.4844
            15  C8y C    40.8871  -24.7843
            16  C8y C    40.8871  -23.3841
            17  C8y C    39.6969  -22.6840
            18  C8x C    38.4367  -23.3841
            19  O1a O    42.0773  -22.6840
            20  O2a O    38.4367  -27.5848
            21  C1y C    32.4857  -29.6852
            22  O2x O    31.2955  -28.9851
            23  C1y C    30.0352  -29.6852
            24  C1y C    30.0352  -31.1554
            25  C1y C    31.2254  -31.8556
            26  C1y C    32.4857  -31.1554
            27  C1b C    28.7750  -28.9851
            28  O1a O    27.5848  -29.6852
            29  O1a O    28.7750  -31.8556
            30  O1a O    31.2254  -33.2558
            31  O1a O    33.6759  -31.8556
            32  O2a O    42.0773  -25.5545
            33  O2a O    39.6969  -21.2837
            34  C1a C    43.3376  -24.8543
            35  C1a C    38.5067  -20.5836
            36  C1y C    39.6491  -28.2848
            37  C1y C    39.6490  -29.6797
            38  C1y C    40.8614  -30.3798
            39  C1y C    42.0739  -29.6799
            40  C1y C    42.0740  -28.2850
            41  O2x O    40.8616  -27.5849
            42  O1a O    43.2834  -30.3783
            43  O1a O    38.4148  -30.3924
            44  C1b C    43.2856  -27.5856
            45  O1a O    40.8613  -31.7799
            46  O2a O    44.4763  -28.2733
            47  C1y C    45.6661  -27.5864
            48  C1y C    46.8560  -28.2737
            49  C1y C    48.0686  -27.5739
            50  C1y C    48.0688  -26.1739
            51  C1y C    46.8789  -25.4867
            52  O2x O    45.6664  -26.1864
            53  C1a C    46.8791  -24.0802
            54  O7a O    49.2945  -25.4664
            55  O1a O    49.2995  -28.2850
            56  O1a O    46.8559  -29.6798
            57  C7a C    50.4924  -26.1800
            58  C2b C    51.7049  -25.4800
            59  C2b C    52.9173  -26.1800
            60  C8y C    54.1297  -25.4800
            61  O6a O    50.4829  -27.5799
            62  C8x C    55.3273  -26.1715
            63  C8x C    56.5398  -25.4716
            64  C8y C    56.5399  -24.0716
            65  C8x C    55.3424  -23.3801
            66  C8x C    54.1299  -24.0800
            67  O1a O    57.7637  -23.3650
BOND        73
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    6  11 1
            13    4  12 1
            14    9  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22    8  20 1
            23   21  11 1 #Up
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   23  27 1 #Up
            31   27  28 1
            32   24  29 1 #Down
            33   25  30 1 #Up
            34   26  31 1 #Down
            35   15  32 1
            36   17  33 1
            37   32  34 1
            38   33  35 1
            39   36  20 1 #Down
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   40  41 1
            45   36  41 1
            46   39  42 1 #Up
            47   37  43 1 #Up
            48   40  44 1 #Down
            49   38  45 1 #Down
            50   44  46 1
            51   47  46 1 #Down
            52   47  48 1
            53   48  49 1
            54   49  50 1
            55   50  51 1
            56   51  52 1
            57   47  52 1
            58   51  53 1 #Up
            59   50  54 1 #Down
            60   49  55 1 #Up
            61   48  56 1 #Up
            62   54  57 1
            63   57  58 1
            64   58  59 2
            65   59  60 1
            66   57  61 2
            67   60  62 2
            68   62  63 1
            69   63  64 2
            70   64  65 1
            71   65  66 2
            72   60  66 1
            73   64  67 1