ATOM        45
            1   C8y C    33.4600  -24.4300
            2   C8x C    33.4600  -25.8300
            3   C8y C    34.7200  -26.5300
            4   C8y C    35.9100  -25.8300
            5   C8y C    35.9100  -24.4300
            6   C8x C    34.7200  -23.7300
            7   C8x C    37.1000  -26.5300
            8   C8y C    38.3600  -25.8300
            9   C8y C    38.3600  -24.4300
            10  O2x O    37.1000  -23.7300 #+
            11  C8y C    39.5500  -23.7300
            12  C8x C    40.7400  -24.3600
            13  C8y C    41.9300  -23.6600
            14  C8y C    41.9300  -22.2600
            15  C8y C    40.7400  -21.6300
            16  C8x C    39.5500  -22.3300
            17  O1a O    34.7200  -28.0000
            18  O1a O    32.2700  -23.7300
            19  O2a O    39.5500  -26.5300
            20  O1a O    43.1900  -21.5600
            21  O1a O    43.1200  -24.3600
            22  C1y C    40.7400  -27.2300
            23  C1y C    40.7400  -28.6300
            24  C1y C    42.0000  -29.3300
            25  C1y C    43.1900  -28.6300
            26  C1y C    43.1900  -27.2300
            27  O2x O    42.0000  -26.5300
            28  C1b C    44.3800  -26.5300
            29  O7a O    42.0000  -30.8000
            30  O1a O    39.5500  -29.3300
            31  O1a O    44.3800  -29.3300
            32  O7a O    45.5700  -27.2300
            33  C7a C    46.7600  -26.5300
            34  C1b C    48.0200  -27.2300
            35  C6a C    49.2100  -26.5300
            36  O6a O    50.4700  -27.2300
            37  O6a O    46.7600  -25.1300
            38  O6a O    49.2100  -25.1300
            39  C7a C    43.1900  -31.5000
            40  O6a O    44.3800  -30.8000
            41  C1b C    43.1900  -32.9000
            42  C6a C    44.3800  -33.6000
            43  O6a O    45.5700  -32.9000
            44  O6a O    44.3800  -35.0000
            45  O1a O    40.7086  -20.2304
BOND        48
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            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    3  17 1
            20    1  18 1
            21    8  19 1
            22   14  20 1
            23   13  21 1
            24   22  19 1 #Down
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   26  28 1 #Down
            32   24  29 1 #Down
            33   23  30 1 #Up
            34   25  31 1 #Up
            35   28  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   33  37 2
            41   35  38 2
            42   29  39 1
            43   39  40 2
            44   39  41 1
            45   41  42 1
            46   42  43 2
            47   42  44 1
            48   15  45 1

COMPOUND: C16290