ATOM        54
            1   C8y C    28.1172  -20.8598
            2   C8y C    28.1112  -22.2489
            3   C8y C    29.3194  -20.1651
            4   O2x O    26.9148  -20.1534 #+
            5   C8x C    26.9031  -22.9316
            6   O2a O    29.3077  -22.9433
            7   C8x C    29.3253  -18.7760
            8   C8x C    30.5159  -20.8714
            9   C8y C    25.7066  -20.8481
            10  C8y C    25.7066  -22.2372
            11  C1y C    30.7376  -23.6787
            12  C8y C    30.5276  -18.0933
            13  C8x C    31.7240  -20.1768
            14  C8x C    24.5044  -20.1477
            15  C8y C    24.5044  -22.9259
            16  O2x O    30.7203  -25.0619
            17  C1y C    31.9167  -22.9376
            18  O2a O    30.5276  -16.6982
            19  C8y C    31.7298  -18.7877
            20  C8y C    23.3020  -20.8481
            21  O2a O    24.5101  -24.3091
            22  C8x C    23.3020  -22.2372
            23  C1y C    32.0158  -25.7098
            24  C1y C    33.1422  -23.5912
            25  O1a O    31.8642  -21.5485
            26  C1y C    29.1385  -15.7937
            27  O1a O    32.9322  -18.1049
            28  O1a O    22.0997  -20.1477
            29  C1y C    23.1794  -25.1961
            30  C1y C    33.1190  -24.9802
            31  C1b C    32.0683  -27.0989
            32  O1a O    34.3154  -22.8499
            33  O2x O    29.1151  -14.4163
            34  C1y C    27.9479  -16.5115
            35  O2x O    21.9830  -24.5074
            36  C1y C    23.1794  -26.5852
            37  O1a O    34.4146  -25.6281
            38  O1a O    30.8894  -27.8401
            39  C1y C    27.9012  -13.7450
            40  C1y C    26.7398  -15.8403
            41  O1a O    27.9770  -17.9006
            42  C1y C    20.7748  -25.1961
            43  C1y C    21.9830  -27.2856
            44  O1a O    24.3818  -27.2856
            45  C1y C    26.7105  -14.4571
            46  C1b C    27.8778  -12.3559
            47  O1a O    25.5490  -16.5583
            48  C1y C    20.7748  -26.5852
            49  C1b C    19.5726  -24.5074
            50  O1a O    21.9830  -28.6747
            51  O1a O    25.4966  -13.7860
            52  O1a O    29.0626  -11.6322
            53  O1a O    19.5726  -27.2856
            54  O1a O    18.3702  -25.1961
BOND        59
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10   11   6 1 #Up
            11    7  12 2
            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   12  19 1
            19   14  20 2
            20   15  21 1
            21   15  22 2
            22   16  23 1
            23   17  24 1
            24   17  25 1 #Down
            25   26  18 1 #Up
            26   19  27 1
            27   20  28 1
            28   29  21 1 #Up
            29   23  30 1
            30   23  31 1 #Up
            31   24  32 1 #Up
            32   26  33 1
            33   26  34 1
            34   29  35 1
            35   29  36 1
            36   30  37 1 #Down
            37   31  38 1
            38   33  39 1
            39   34  40 1
            40   34  41 1 #Down
            41   35  42 1
            42   36  43 1
            43   36  44 1 #Down
            44   39  45 1
            45   39  46 1 #Up
            46   40  47 1 #Up
            47   42  48 1
            48   42  49 1 #Up
            49   43  50 1 #Up
            50   45  51 1 #Down
            51   46  52 1
            52   48  53 1 #Down
            53   49  54 1
            54    9  10 2
            55   13  19 2
            56   20  22 1
            57   24  30 1
            58   40  45 1
            59   43  48 1

COMPOUND: C08629