ENTRY       C16449                      Compound
ATOM        25
            1   O2x O    38.2298  -25.3934
            2   C1y C    37.1540  -26.2387
            3   C1y C    37.6253  -27.5233
            4   C1y C    38.9927  -27.4718
            5   C1y C    39.3662  -26.1556
            6   N5x N    36.6617  -22.2138
            7   C8x C    36.6617  -23.5821
            8   N5x N    37.8466  -24.2662
            9   C8y C    39.0317  -23.5821
            10  C8y C    39.0317  -22.2138
            11  C8y C    37.8466  -21.5297
            12  N4y N    40.3330  -24.0049
            13  C8x C    41.1373  -22.8980
            14  N5x N    40.3330  -21.7910
            15  N1b N    37.8466  -20.1616
            16  C1b C    39.0317  -19.4774
            17  C2b C    39.0317  -18.1091
            18  C2c C    40.2350  -17.4142
            19  C1b C    41.4127  -18.0941
            20  C1a C    40.2347  -16.0566
            21  C1b C    35.9689  -25.5546
            22  O1a O    39.9601  -28.4394
            23  O1a O    36.6578  -28.4908
            24  O1a O    42.5976  -17.4100
            25  O1a O    34.7565  -26.2546
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11    6  11 2
            12    9  12 1
            13   12  13 1
            14   13  14 2
            15   10  14 1
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   18  20 1
            22    5  12 1 #Up
            23    2  21 1 #Up
            24    4  22 1 #Down
            25    3  23 1 #Down
            26   19  24 1
            27   21  25 1
///