ATOM        43
            1   C8y C    35.9678  -24.3991
            2   C8x C    35.9678  -25.8715
            3   C8y C    37.1597  -26.5726
            4   C8y C    38.4217  -25.8715
            5   C8y C    38.4217  -24.3991
            6   C8x C    37.1597  -23.6980
            7   C8x C    39.6136  -26.5726
            8   C8y C    40.8056  -25.8715
            9   C8y C    40.8056  -24.3991
            10  O2x O    39.6136  -23.6980 #+
            11  C8y C    41.9274  -23.6980
            12  C8x C    43.1193  -24.3991
            13  C8y C    44.3813  -23.6980
            14  C8y C    44.3813  -22.2958
            15  C8x C    43.1894  -21.5946
            16  C8x C    41.9274  -22.2958
            17  O1a O    45.5732  -21.5946
            18  O1a O    37.1597  -27.9749
            19  O1a O    34.7759  -23.6980
            20  O2a O    41.9274  -26.5726
            21  C1y C    43.1894  -27.2737
            22  C1y C    43.1894  -28.6760
            23  C1y C    44.3813  -29.3771
            24  C1y C    45.5732  -28.6760
            25  C1y C    45.5732  -27.2737
            26  O2x O    44.3813  -26.5726
            27  C1b C    46.7651  -26.5726
            28  O1a O    47.9570  -27.2737
            29  O1a O    44.3813  -30.8495
            30  O1a O    46.7651  -29.3771
            31  O2a O    41.9975  -29.3771
            32  C1y C    41.9975  -30.8495
            33  C1y C    40.8056  -31.5506
            34  C1y C    40.8056  -32.9529
            35  C1y C    41.9975  -33.6540
            36  C1y C    43.1894  -32.9529
            37  O2x O    43.1894  -31.5506
            38  C1b C    44.3813  -33.6540
            39  O1a O    41.9975  -35.0562
            40  O1a O    39.6136  -33.6540
            41  O1a O    39.6136  -30.8495
            42  O1a O    45.5732  -24.3991
            43  O1a O    45.5915  -32.9684
BOND        47
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20    3  18 1
            21    1  19 1
            22    8  20 1
            23   21  20 1 #Down
            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   25  27 1 #Down
            31   27  28 1
            32   23  29 1 #Down
            33   24  30 1 #Up
            34   22  31 1 #Up
            35   32  31 1 #Down
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   32  37 1
            42   36  38 1 #Down
            43   35  39 1 #Up
            44   34  40 1 #Down
            45   33  41 1 #Up
            46   13  42 1
            47   38  43 1

COMPOUND: C16306