ALIGN 20
1 1:N1y 1:N1y
2 2:C1b 2:C1b
3 3:C1b 3:C1b
4 4:C1c 4:C1c
5 5:C6a 5:C6a
6 6:N1b 6:N1b
7 7:O6a 8:O6a
8 8:O6a 7:O6a
9 9:C1b 9:C1b
10 10:C1b 10:C1b #M1
11 11:C1c 11:C5a #R1
12 12:C6a 12:C6a #M1
13 13:O6a 13:O6a
14 14:O6a 14:O6a
15 16:C1y 16:C1y
16 17:C1x 17:C1x
17 18:C1x 18:C1x
18 19:C6a 19:C6a
19 20:O6a 20:O6a
20 21:O6a 21:O6a
- 15:N1a * #D1
- * 15:O5a #D1
ENTRY1
COMPOUND
C05324
ATOM 21
1 N1y N 19.9531 -22.2670
2 C1b C 21.1703 -21.5642
3 C1b C 22.3876 -22.2670
4 C1c C 23.6048 -21.5642
5 C6a C 24.8220 -22.2670
6 N1b N 23.6048 -20.1586
7 O6a O 26.0244 -21.5727
8 O6a O 24.8221 -23.6724
9 C1b C 24.8241 -19.4546
10 C1b C 26.0254 -20.1484
11 C1c C 27.2169 -19.4605
12 C6a C 28.4131 -20.1514
13 O6a O 29.6072 -19.4620
14 O6a O 28.4131 -21.5639
15 N1a N 27.2171 -18.0505
16 C1y C 18.5475 -22.2670
17 C1x C 19.9531 -23.6725
18 C1x C 18.5475 -23.6725
19 C6a C 17.5537 -21.2731
20 O6a O 16.2028 -21.6351
21 O6a O 17.9156 -19.9223
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 1 #Down
6 5 7 1
7 5 8 2
8 6 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 12 14 2
14 11 15 1 #Down
15 1 16 1
16 1 17 1
17 16 18 1
18 18 17 1
19 16 19 1 #Up
20 19 20 1
21 19 21 2
ENTRY2
COMPOUND
C15486
ATOM 21
1 N1y N 25.8330 -21.6369
2 C1b C 27.0502 -20.9341
3 C1b C 28.2675 -21.6369
4 C1c C 29.4847 -20.9341
5 C6a C 30.7019 -21.6369
6 N1b N 29.4847 -19.5285
7 O6a O 31.9043 -20.9426
8 O6a O 30.7020 -23.0423
9 C1b C 30.7040 -18.8245
10 C1b C 31.9053 -19.5183
11 C5a C 33.0968 -18.8304
12 C6a C 34.2930 -19.5213
13 O6a O 35.4871 -18.8319
14 O6a O 34.2930 -20.9338
15 O5a O 33.0970 -17.4204
16 C1y C 24.4274 -21.6369
17 C1x C 25.8330 -23.0424
18 C1x C 24.4274 -23.0424
19 C6a C 23.4336 -20.6430
20 O6a O 22.0827 -21.0050
21 O6a O 23.7955 -19.2922
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 1 #Down
6 5 7 1
7 5 8 2
8 6 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 12 14 2
14 11 15 2
15 1 16 1
16 1 17 1
17 16 18 1
18 18 17 1
19 16 19 1 #Up
20 19 20 1
21 19 21 2
