ATOM        55
            1   C8y C    40.1100  -30.3800
            2   C8y C    40.1100  -28.9800
            3   C8x C    38.9200  -28.2800
            4   C8y C    37.7300  -28.9800
            5   C8x C    37.7300  -30.3800
            6   C8y C    38.9200  -31.0800
            7   C8x C    41.3700  -31.0800
            8   C8y C    42.5600  -30.3800
            9   C8y C    42.5600  -28.9800
            10  O2x O    41.3700  -28.2800 #+
            11  C8y C    43.8200  -28.2800
            12  C8x C    45.0100  -28.9800
            13  C8y C    46.2000  -28.2800
            14  C8y C    46.2000  -26.8800
            15  C8y C    45.0100  -26.1800
            16  C8x C    43.8200  -26.8800
            17  O2a O    45.0100  -24.7800
            18  O1a O    47.4600  -26.1800
            19  O1a O    47.4600  -28.9800
            20  O2a O    43.8200  -31.0800
            21  O2a O    38.9200  -32.4800
            22  O1a O    36.4700  -28.2800
            23  C1y C    37.7300  -33.1800
            24  O2x O    36.5400  -32.4800
            25  C1y C    35.3500  -33.1800
            26  C1y C    35.3500  -34.5800
            27  C1y C    36.5400  -35.2800
            28  C1y C    37.7300  -34.5800
            29  C1b C    34.1600  -32.4800
            30  O1a O    36.5400  -36.6800
            31  O1a O    34.1600  -35.3500
            32  O1a O    38.9900  -35.2800
            33  O1a O    32.9700  -33.1800
            34  C1y C    45.0100  -31.7800
            35  C1y C    45.0100  -33.1800
            36  C1y C    46.2000  -33.8800
            37  C1y C    47.4600  -33.1800
            38  C1y C    47.4600  -31.7800
            39  O2x O    46.2000  -31.0800
            40  C1b C    48.6500  -31.0800
            41  O1a O    46.2000  -35.2800
            42  O1a O    43.8200  -33.8800
            43  O1a O    48.6500  -33.8800
            44  O1a O    49.8400  -31.7800
            45  C1y C    43.8200  -24.0800
            46  O2x O    43.8200  -22.6800
            47  C1y C    42.6300  -21.9800
            48  C1y C    41.3700  -22.6800
            49  C1y C    41.3700  -24.0800
            50  C1y C    42.6300  -24.7800
            51  C1b C    42.6300  -20.5800
            52  O1a O    40.1800  -24.7800
            53  O1a O    40.1800  -21.9800
            54  O1a O    42.6300  -26.1800
            55  O1a O    43.8200  -19.8800
BOND        60
            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    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   15  17 1
            20   14  18 1
            21   13  19 1
            22    8  20 1
            23    6  21 1
            24    4  22 1
            25   23  21 1 #Up
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1
            32   25  29 1 #Up
            33   27  30 1 #Up
            34   26  31 1 #Down
            35   28  32 1 #Down
            36   29  33 1
            37   34  20 1 #Down
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   34  39 1
            44   38  40 1 #Down
            45   36  41 1 #Down
            46   35  42 1 #Up
            47   37  43 1 #Up
            48   40  44 1
            49   45  17 1 #Up
            50   45  46 1
            51   46  47 1
            52   47  48 1
            53   48  49 1
            54   49  50 1
            55   45  50 1
            56   47  51 1 #Up
            57   49  52 1 #Up
            58   48  53 1 #Down
            59   50  54 1 #Down
            60   51  55 1

COMPOUND: C16314