ALIGN 16
1 1:P1b 24:P1b
2 2:O2b 23:O2b
3 3:O1c 26:O1c
4 4:O1c 27:O1c
5 5:O1c 25:O1c
6 6:C1b 20:C1b
7 7:C1y 15:C1y
8 8:C1y 19:C1y
9 9:O2x 11:O2x
10 10:C1y 16:C1y
11 11:O1a 22:O1a
12 12:C1y 6:C1y #M1
13 13:C1y 12:C1y
14 14:O1a 21:O1a
15 15:O1a 2:O2a #R1
16 16:O1a 17:O1a
- * 1:C1z #D1
ENTRY1
COMPOUND
C00668
ATOM 16
1 P1b P 19.1737 -15.2287
2 O2b O 20.5769 -15.2350
3 O1c O 17.7706 -15.2287
4 O1c O 19.1737 -13.8319
5 O1c O 19.1610 -16.6318
6 C1b C 21.6517 -14.3340
7 C1y C 22.8489 -15.0291
8 C1y C 22.8489 -16.4259
9 O2x O 24.0653 -14.3340
10 C1y C 24.0653 -17.1339
11 O1a O 21.6517 -17.1339
12 C1y C 25.2883 -15.0291
13 C1y C 25.2883 -16.4259
14 O1a O 24.0653 -18.5306
15 O1a O 26.4984 -14.3340
16 O1a O 26.4984 -17.1339
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 7 6 1 #Up
7 7 8 1
8 7 9 1
9 8 10 1
10 8 11 1 #Down
11 9 12 1
12 10 13 1
13 10 14 1 #Up
14 12 15 1 #Down
15 13 16 1 #Down
16 12 13 1
ENTRY2
COMPOUND
C16688
ATOM 27
1 C1z C 28.4192 -19.3088
2 O2a O 27.3813 -20.2358
3 O2x O 29.5854 -18.4690
4 C1y C 28.8448 -20.6091
5 C1b C 27.4396 -18.3116
6 C1y C 26.1743 -20.9357
7 C1y C 30.7109 -19.2854
8 C1y C 30.2618 -20.6091
9 O1a O 28.0227 -21.7462
10 O1a O 26.1626 -18.8946
11 O2x O 24.9498 -20.2358
12 C1y C 26.1743 -22.3352
13 C1b C 32.0462 -18.8655
14 O1a O 31.0725 -21.7521
15 C1y C 23.7485 -20.9416
16 C1y C 24.9498 -23.0349
17 O1a O 27.3754 -23.0349
18 O1a O 32.8859 -19.9909
19 C1y C 23.7485 -22.3352
20 C1b C 22.5357 -20.2358
21 O1a O 24.9498 -24.4344
22 O1a O 22.5357 -23.0349
23 O2b O 21.4684 -21.1457
24 P1b P 20.0684 -21.1457
25 O1c O 20.0684 -22.5457
26 O1c O 20.0684 -19.7457
27 O1c O 18.6684 -21.1457
BOND 28
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1
5 6 2 1 #Down
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 6 11 1
11 6 12 1
12 7 13 1 #Down
13 8 14 1 #Up
14 11 15 1
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 15 19 1
19 15 20 1 #Up
20 16 21 1 #Up
21 19 22 1 #Down
22 20 23 1
23 7 8 1
24 16 19 1
25 23 24 1
26 24 25 2
27 24 26 1
28 24 27 1
