ALIGN 14
1 1:C1a 1:C1a
2 2:C5a 2:C5a
3 3:N1c 3:N1c
4 4:C1b 4:C1b
5 5:C1b 5:C1b
6 6:C1b 6:C1b
7 7:C1b 7:C1b
8 8:C1c 8:C1c #M1
9 9:C6a 9:C6a
10 10:O6a 10:O6a
11 11:O6a 14:O6a
12 12:N1a 11:N1b #R1
13 13:O1b 13:O1b
14 14:O5a 12:O5a
- * 15:C5a #D1
ENTRY1
COMPOUND
C03955
ATOM 14
1 C1a C 19.9024 -24.4300
2 C5a C 21.1149 -25.1300
3 N1c N 22.3273 -24.4300
4 C1b C 23.5397 -25.1300
5 C1b C 24.7522 -24.4300
6 C1b C 25.9646 -25.1300
7 C1b C 27.1770 -24.4300
8 C1c C 28.3895 -25.1300
9 C6a C 29.6019 -24.4300
10 O6a O 30.8204 -25.1335
11 O6a O 29.6019 -23.0300
12 N1a N 28.3895 -26.5297
13 O1b O 22.3273 -23.0300
14 O5a O 21.1149 -26.5298
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 9 11 2
11 8 12 1 #Up
12 3 13 1
13 2 14 2
ENTRY2
COMPOUND
C05554
ATOM 39
1 C1a C 10.1500 -23.9400
2 C5a C 11.3624 -23.2400
3 N1c N 12.5749 -23.9400
4 C1b C 13.7873 -23.2400
5 C1b C 14.9997 -23.9400
6 C1b C 16.2122 -23.2400
7 C1b C 17.4246 -23.9400
8 C1c C 18.6370 -23.2400
9 C6a C 19.8495 -23.9400
10 O6a O 21.0619 -23.2400
11 N1b N 18.6370 -21.8401
12 O5a O 11.3624 -21.8402
13 O1b O 12.5749 -25.3398
14 O6a O 19.8495 -25.3397
15 C5a C 19.8324 -21.1400
16 C1b C 21.0449 -21.8400
17 C1d C 22.2573 -21.1400
18 C1b C 23.4697 -21.8400
19 C5a C 24.9622 -21.1400
20 N1b N 26.1746 -21.8400
21 C1c C 27.3870 -21.1400
22 C1b C 28.5995 -21.8400
23 C1b C 29.8119 -21.1400
24 C1b C 31.0244 -21.8400
25 C1b C 32.2368 -21.1400
26 N1c N 33.4492 -21.8400
27 C5a C 34.6617 -21.1400
28 C1a C 35.8741 -21.8400
29 O5a O 19.8281 -19.7401
30 C6a C 22.2573 -19.7400
31 O6a O 23.4018 -19.1088
32 O6a O 21.0469 -19.0412
33 O1a O 23.4018 -20.5088
34 O5a O 24.9622 -19.8800
35 C6a C 27.3870 -19.7401
36 O6a O 26.1618 -19.0326
37 O6a O 28.5867 -19.0474
38 O5a O 34.6617 -19.7400
39 O1b O 33.4492 -23.2400
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 8 11 1 #Down
11 2 12 2
12 3 13 1
13 9 14 2
14 11 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 15 29 2
29 17 30 1
30 30 31 1
31 30 32 2
32 17 33 1
33 19 34 2
34 21 35 1 #Down
35 35 36 2
36 35 37 1
37 27 38 2
38 26 39 1
