ALIGN 25
1 1:C8y 1:C8y
2 2:C8y 2:C8y
3 3:C8y 3:C8y
4 4:C8y 4:C8y
5 5:C8y 5:C8y #M1
6 6:C8x 6:C8x
7 7:O1a 7:O1a
8 8:O1a 8:O2a #R1
9 9:O1a 9:O1a
10 10:C5a 10:C5a
11 11:C2b 11:C2b
12 12:O5a 12:O5a
13 13:C2b 13:C2b
14 14:C8y 14:C8y
15 15:C8x 15:C8x
16 16:C8x 16:C8x
17 17:C8y 17:C8y
18 18:C8x 18:C8x
19 19:C8x 19:C8x
20 20:O1a 20:O1a
21 21:C1b 21:C1b
22 22:C2b 22:C2b
23 23:C2c 23:C2c
24 24:C1a 25:C1a
25 25:C1a 24:C1a
- * 26:C1a #D1
ENTRY1
COMPOUND
C16416
ATOM 25
1 C8y C 14.7157 -16.5382
2 C8y C 14.7157 -17.9396
3 C8y C 15.9294 -18.6404
4 C8y C 17.1431 -17.9396
5 C8y C 17.1431 -16.5382
6 C8x C 15.9294 -15.8374
7 O1a O 13.5020 -15.8374
8 O1a O 18.3755 -15.8264
9 O1a O 15.9294 -20.0416
10 C5a C 18.3755 -18.6514
11 C2b C 19.5820 -17.9550
12 O5a O 18.3752 -20.0417
13 C2b C 19.5820 -16.5535
14 C8y C 20.7784 -15.8623
15 C8x C 22.0061 -16.5711
16 C8x C 23.2199 -15.8704
17 C8y C 23.2199 -14.4689
18 C8x C 21.9922 -13.7601
19 C8x C 20.7785 -14.4608
20 O1a O 24.4282 -13.7711
21 C1b C 13.5020 -18.6404
22 C2b C 12.3053 -17.9492
23 C2c C 11.1166 -18.6355
24 C1a C 9.9242 -17.9467
25 C1a C 11.1164 -20.0416
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 5 8 1
9 3 9 1
10 4 10 1
11 10 11 1
12 10 12 2
13 11 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 17 20 1
22 2 21 1
23 21 22 1
24 22 23 2
25 23 24 1
26 23 25 1
ENTRY2
COMPOUND
C16417
ATOM 26
1 C8y C 14.7000 -16.5200
2 C8y C 14.7000 -17.9200
3 C8y C 15.9600 -18.6200
4 C8y C 17.1500 -17.9200
5 C8y C 17.1500 -16.5200
6 C8x C 15.9600 -15.8200
7 O1a O 13.5100 -15.8200
8 O2a O 18.4100 -15.8200
9 O1a O 15.9600 -20.0200
10 C5a C 18.4100 -18.6200
11 C2b C 19.6000 -17.9200
12 O5a O 18.4100 -20.0200
13 C2b C 19.6000 -16.5200
14 C8y C 20.7900 -15.8900
15 C8x C 21.9800 -16.5900
16 C8x C 23.2400 -15.8900
17 C8y C 23.2400 -14.4900
18 C8x C 21.9800 -13.7900
19 C8x C 20.7900 -14.4900
20 O1a O 24.4300 -13.7900
21 C1b C 13.5100 -18.6200
22 C2b C 12.3200 -17.9200
23 C2c C 11.1300 -18.6200
24 C1a C 9.9400 -17.9200
25 C1a C 11.1300 -20.0200
26 C1a C 18.4100 -14.4200
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 5 8 1
9 3 9 1
10 4 10 1
11 10 11 1
12 10 12 2
13 11 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 17 20 1
22 2 21 1
23 21 22 1
24 22 23 2
25 23 24 1
26 23 25 1
27 8 26 1
