ALIGN 19
1 1:C1b 9:C1b #M1
2 2:C1c 8:C1b #R1
3 3:C1b 10:C1b
4 4:C1b 7:C1b #M1
5 6:C1b 11:C1b
6 7:C1b 6:C1b
7 8:C1b 12:C1b
8 9:C1b 5:C1b
9 10:C1b 13:C1b
10 11:C1b 4:C1b
11 12:C1b 14:C1b
12 13:C1b 3:C1b
13 14:C1b 15:C1b
14 15:C1b 2:C1b
15 16:C1b 16:C1b
16 17:O1a 1:O1a
17 18:C6a 17:C6a
18 19:O6a 18:O6a
19 20:O6a 19:O6a
- 5:O1a * #D1
ENTRY1
COMPOUND
C08285
ATOM 20
1 C1b C 27.2873 -17.3604
2 C1c C 28.5052 -18.0596
3 C1b C 26.0811 -18.0596
4 C1b C 29.7171 -17.3604
5 O1a O 28.5052 -19.4582
6 C1b C 24.8691 -17.3604
7 C1b C 30.9293 -18.0596
8 C1b C 23.6512 -18.0596
9 C1b C 32.1471 -17.3604
10 C1b C 22.4391 -17.3604
11 C1b C 33.3591 -18.0596
12 C1b C 21.2214 -18.0596
13 C1b C 34.5770 -17.3604
14 C1b C 20.0092 -17.3604
15 C1b C 35.7891 -18.0596
16 C1b C 18.7973 -18.0596
17 O1a O 36.9952 -17.3604
18 C6a C 17.5794 -17.3604
19 O6a O 16.3732 -18.0596
20 O6a O 17.5794 -15.9618
BOND 19
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 18 19 1
19 18 20 2
ENTRY2
COMPOUND
C18218
ATOM 19
1 O1a O 41.6500 -25.3400
2 C1b C 40.4600 -26.0400
3 C1b C 39.2000 -25.3400
4 C1b C 38.0100 -26.0400
5 C1b C 36.8200 -25.3400
6 C1b C 35.5600 -26.0400
7 C1b C 34.3700 -25.3400
8 C1b C 33.1800 -26.0400
9 C1b C 31.9200 -25.3400
10 C1b C 30.7300 -26.0400
11 C1b C 29.5400 -25.3400
12 C1b C 28.2800 -26.0400
13 C1b C 27.0900 -25.3400
14 C1b C 25.9000 -26.0400
15 C1b C 24.6400 -25.3400
16 C1b C 23.4500 -26.0400
17 C6a C 22.2600 -25.3400
18 O6a O 21.0000 -26.0400
19 O6a O 22.2600 -23.9400
BOND 18
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 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 17 19 2
