ALIGN 10
1 1:C1a 1:C1a
2 2:C2c 2:C2c
3 3:C1a 3:C1a
4 4:C2b 4:C2b
5 5:C1b 5:C1b
6 6:C1b 6:C1b
7 7:C2c 7:C2c
8 8:C1a 8:C1a
9 9:C2b 9:C2b #M1
10 10:C1b 10:C1b #R1
- 11:O2b * #D1
- * 11:C1b #D1
ENTRY1
COMPOUND
C04093
ATOM 19
1 C1a C 14.1400 -8.1900
2 C2c C 14.1400 -9.5900
3 C1a C 12.9276 -10.2900
4 C2b C 15.3524 -10.2900
5 C1b C 16.5649 -9.5900
6 C1b C 17.7773 -10.2900
7 C2c C 17.7773 -11.6900
8 C1a C 16.5649 -12.3900
9 C2b C 18.9897 -12.3900
10 C1b C 20.2022 -11.6900
11 O2b O 22.0446 -12.3900
12 P1b P 23.4446 -12.3900
13 O1c O 23.4446 -13.7900
14 O2c O 24.8446 -12.3900
15 P1b P 26.2446 -12.3900
16 O1c O 26.2446 -13.7900
17 O1c O 27.6446 -12.3900
18 O1c O 26.2446 -10.9900
19 O1c O 23.4446 -10.9900
BOND 18
1 1 2 1
2 2 3 1
3 2 4 2
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 7 9 2
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 2
13 12 14 1
14 14 15 1
15 15 16 2
16 15 17 1
17 15 18 1
18 12 19 1
ENTRY2
COMPOUND
C16689
ATOM 24
1 C1a C 21.0000 -18.5500
2 C2c C 21.0000 -19.9500
3 C1a C 19.8100 -20.6500
4 C2b C 22.1900 -20.6500
5 C1b C 23.4500 -19.9500
6 C1b C 24.6400 -20.6500
7 C2c C 24.6400 -22.0500
8 C1a C 23.4500 -22.7500
9 C2b C 25.8300 -22.7500
10 C1b C 27.0900 -22.0500
11 C1b C 28.2800 -22.7500
12 C2c C 28.2800 -24.1500
13 C1a C 27.0900 -24.8500
14 C2b C 29.4700 -24.8500
15 C1b C 30.7300 -24.1500
16 O2b O 31.9200 -24.8500
17 P1b P 33.3200 -24.8500
18 O1c O 33.3200 -26.2500
19 O2c O 34.7200 -24.8500
20 P1b P 36.1200 -24.8500
21 O1c O 36.1200 -26.2500
22 O1c O 37.5200 -24.8500
23 O1c O 36.1200 -23.4500
24 O1c O 33.3200 -23.4500
BOND 23
1 1 2 1
2 2 3 1
3 2 4 2
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 7 9 2
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 12 14 2
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 2
18 17 19 1
19 19 20 1
20 20 21 2
21 20 22 1
22 20 23 1
23 17 24 1
