ENTRY       C00645                      Compound
ATOM        15
            1   C1y C    27.9766  -17.8733
            2   C1y C    26.7984  -18.5559
            3   C1y C    27.9766  -16.5200
            4   C1y C    25.6375  -17.8733
            5   O1a O    26.8041  -19.9033
            6   O2x O    26.7984  -15.8375
            7   O1a O    29.1551  -15.8375
            8   C1y C    25.6375  -16.5200
            9   O1a O    24.4708  -18.5559
            10  C1b C    24.4708  -15.8375
            11  O1a O    23.4384  -16.7242
            12  N1b N    29.1966  -18.5767
            13  C5a C    30.4024  -17.8500
            14  C1a C    31.6149  -18.5500
            15  O5a O    30.4024  -16.7300
BOND        15
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Up
            5     3   6 1
            6     3   7 1 #Either
            7     4   8 1
            8     4   9 1 #Down
            9     8  10 1 #Up
            10   10  11 1
            11    6   8 1
            12    1  12 1 #Up
            13   12  13 1
            14   13  14 1
            15   13  15 2
///