ALIGN 11
1 19:C1y 7:C1y #R1
2 20:O2x 3:O2x #M1
3 21:C1y 9:C1y #M1
4 22:C1y 1:C1y
5 23:C1y 5:C1y
6 24:O1a 11:O1a
7 25:C1y 2:C1y
8 26:C1b 4:C1b
9 27:O1a 10:O1a
10 28:O1a 6:O1a
11 29:O1a 8:O1a
- 16:O2b * #D1
- * 20:O2a #D1
ENTRY1
COMPOUND
C15541
ATOM 29
1 C1y C 34.6155 -19.3795
2 R R 35.9634 -18.9383
3 O2x O 33.5270 -18.5733
4 C1y C 34.2036 -20.7509
5 C1y C 32.3792 -19.4088
6 C1y C 32.8029 -20.7509
7 O1a O 35.0273 -21.8802
8 C1b C 31.0429 -18.9792
9 O1a O 31.9673 -21.8744
10 O2b O 30.0482 -19.9565
11 P1b P 28.6475 -19.9565
12 O2c O 27.2468 -19.9565
13 O1c O 28.6417 -21.3570
14 O1c O 28.6417 -18.5556
15 P1b P 25.8519 -19.9506
16 O2b O 24.4454 -19.9506
17 O1c O 25.8402 -21.3453
18 O1c O 25.8402 -18.5499
19 C1y C 23.2330 -20.6445
20 O2x O 22.0265 -19.9506
21 C1y C 23.2330 -22.0450
22 C1y C 20.8143 -20.6445
23 C1y C 22.0265 -22.7462
24 O1a O 24.4454 -22.7462
25 C1y C 20.8143 -22.0450
26 C1b C 19.6019 -19.9506
27 O1a O 22.0265 -24.1469
28 O1a O 19.6019 -22.7462
29 O1a O 18.3969 -20.6445
BOND 30
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 3 5 1
5 4 6 1
6 4 7 1 #Down
7 5 8 1 #Up
8 6 9 1 #Down
9 8 10 1
10 10 11 1
11 11 12 1
12 11 13 1
13 11 14 2
14 12 15 1
15 15 16 1
16 15 17 1
17 15 18 2
18 19 16 1 #Down
19 19 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 1 #Down
24 22 25 1
25 22 26 1 #Up
26 23 27 1 #Up
27 25 28 1 #Down
28 26 29 1
29 5 6 1
30 23 25 1
ENTRY2
COMPOUND
C19791
ATOM 22
1 C1y C 15.8900 -20.2300
2 C1y C 15.8900 -21.6300
3 O2x O 17.0800 -19.5300
4 C1b C 14.6300 -19.5300
5 C1y C 17.0800 -22.3300
6 O1a O 14.6300 -22.3300
7 C1y C 18.3400 -20.2300
8 O1a O 13.5800 -20.4400
9 C1y C 18.3400 -21.6300
10 O1a O 17.0800 -23.7300
11 O1a O 19.5300 -22.3300
12 P1b P 23.3800 -18.1300
13 O2b O 21.9800 -18.1300
14 O1c O 24.7800 -18.1300
15 O1c O 23.3800 -16.8000
16 O1c O 23.3800 -19.4600
17 C1b C 20.7200 -17.4300
18 C1c C 19.5300 -18.1300
19 C6a C 18.2700 -17.4300
20 O2a O 19.5300 -19.5300
21 O6a O 17.0100 -18.1300
22 O6a O 18.2700 -15.9600
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 9 11 1 #Down
11 7 9 1
12 12 13 1
13 12 14 1
14 12 15 1
15 12 16 2
16 13 17 1
17 17 18 1
18 18 19 1
19 18 20 1 #Up
20 19 21 1
21 19 22 2
22 7 20 1 #Down