ALIGN       9
            1     1:C1c   1:C1c #M1
            2     2:N1b   4:N1a #R1
            3     3:N1b   2:N1b
            4     4:C6a   3:C6a
            5     6:C5a   5:C5a
            6     7:O6a   7:O6a
            7     8:O6a   6:O6a
            8    11:N1a   8:N1a
            9    12:O5a   9:O5a
            -     5:C5a     *   #D1
ENTRY1      
 COMPOUND  C00499
 ATOM      12
            1   C1c C    26.9671  -25.7731
            2   N1b N    25.3903  -26.4757
            3   N1b N    28.4732  -26.4757
            4   C6a C    26.9671  -24.3548
            5   C5a C    24.3728  -25.7731
            6   C5a C    29.5614  -25.7731
            7   O6a O    28.1903  -23.6455
            8   O6a O    25.7439  -23.6455
            9   N1a N    23.1496  -26.4757
            10  O5a O    24.3728  -24.5669
            11  N1a N    30.7846  -26.4757
            12  O5a O    29.5614  -24.5669
 BOND      11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 2
ENTRY2      
 COMPOUND  C02091
 ATOM      9
            1   C1c C    -0.5621   -0.3241
            2   N1b N     0.1586   -0.7379
            3   C6a C    -0.5621    0.5069
            4   N1a N    -1.2759   -0.7379
            5   C5a C     0.8793   -0.3241
            6   O6a O     0.1586    0.9241
            7   O6a O    -1.2759    0.9241
            8   N1a N     1.5966   -0.7379
            9   O5a O     0.8793    0.5069
 BOND      8
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     5   8 1
            8     5   9 2