ALIGN 13
1 1:C1a 1:C1a
2 2:S2a 2:S2a
3 3:C1b 3:C1b
4 4:C1b 4:C1b
5 5:C1b 5:C1b
6 6:C1b 6:C1b
7 7:C1b 7:C1b
8 8:C1b 8:C1b
9 9:C1b 9:C1b #M1
10 10:C5a 10:C1c #R1
11 11:C6a 11:C6a #M1
12 12:O6a 14:O6a
13 14:O6a 12:O6a
- 13:O5a * #D1
- * 13:N1a #D1
ENTRY1
COMPOUND
C17228
ATOM 14
1 C1a C 10.5700 -14.7000
2 S2a S 11.7824 -14.0000
3 C1b C 12.9949 -14.7000
4 C1b C 14.2073 -14.0000
5 C1b C 15.4197 -14.7000
6 C1b C 16.6322 -14.0000
7 C1b C 17.8446 -14.7000
8 C1b C 19.0570 -14.0000
9 C1b C 20.2695 -14.7000
10 C5a C 21.4819 -14.0000
11 C6a C 22.6944 -14.7000
12 O6a O 23.9068 -14.0000
13 O5a O 21.4819 -12.6000
14 O6a O 22.6944 -16.0999
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 10 13 2
13 11 14 2
ENTRY2
COMPOUND
C17229
ATOM 14
1 C1a C 13.7200 -16.8700
2 S2a S 14.9324 -16.1700
3 C1b C 16.1449 -16.8700
4 C1b C 17.3573 -16.1700
5 C1b C 18.5697 -16.8700
6 C1b C 19.7822 -16.1700
7 C1b C 20.9946 -16.8700
8 C1b C 22.2070 -16.1700
9 C1b C 23.4195 -16.8700
10 C1c C 24.6319 -16.1700
11 C6a C 25.8444 -16.8700
12 O6a O 27.0568 -16.1700
13 N1a N 24.6319 -14.7700
14 O6a O 25.8444 -18.2699
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 10 13 1
13 11 14 2
