ALIGN 12
1 1:C1y 7:C1y
2 2:C1y 8:C1y
3 3:O2x 9:O2x
4 4:C1b 6:C1b #M1
5 5:C1y 10:C1y
6 6:O1a 11:O1a
7 7:C1y 12:C1y
8 8:O1a 2:O2b #R1
9 9:C1y 13:C1y
10 10:O1a 14:O1a
11 11:O1a 15:O1a
12 12:O1a 16:O1a
- * 1:P1b #D1
ENTRY1
COMPOUND
C00159
ATOM 12
1 C1y C -0.5448 0.5276
2 C1y C -0.5448 -0.3000
3 O2x O 0.1690 0.9414
4 C1b C -1.2621 0.9414
5 C1y C 0.1690 -0.7138
6 O1a O -1.2621 -0.7138
7 C1y C 0.8897 0.5276
8 O1a O -1.8897 0.4034
9 C1y C 0.8897 -0.3000
10 O1a O 0.1690 -1.5414
11 O1a O 1.6035 0.9414
12 O1a O 1.6035 -0.7138
BOND 12
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 7 11 1 #Either
11 9 12 1 #Up
12 7 9 1
ENTRY2
COMPOUND
C00275
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 -13.7619
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 #Up
15 13 16 1 #Up
16 12 13 1
