ALIGN 15
1 1:C1c 10:C1c
2 2:C1c 5:C1c #M1
3 3:C1c 15:C1c
4 4:O1a 16:O1a
5 5:C1b 9:C1b
6 6:O1a 2:O2a #R1
7 7:C1a 20:C1a
8 8:O1a 21:O1a
9 9:O2b 14:O2b
10 10:Z 25:Z
11 11:P1b 19:P1b
12 12:O1c 22:O1c
13 13:O1c 23:O1c
14 14:O1c 24:O1c
15 15:Z 26:Z
- * 1:C1y #D1
ENTRY1
COMPOUND
C00653
ATOM 15
1 C1c C 28.5703 -23.4330
2 C1c C 29.8559 -22.4119
3 C1c C 27.2007 -22.6119
4 O1a O 28.6160 -25.1467
5 C1b C 31.2778 -23.3615
6 O1a O 29.8753 -20.8196
7 C1a C 25.8632 -23.5044
8 O1a O 27.2265 -20.9480
9 O2b O 32.6086 -22.4690
10 Z * 23.2339 -21.9263
11 P1b P 34.1668 -22.4620
12 O1c O 35.7313 -22.4620
13 O1c O 34.1601 -20.7409
14 O1c O 34.1668 -24.1755
15 Z * 38.8410 -23.6400
BOND 14
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 3 8 1 #Down
8 5 9 1
9 7 10 1
10 9 11 1
11 11 12 1
12 11 13 1
13 11 14 2
14 12 15 1
ENTRY2
COMPOUND
C04667
ATOM 29
1 C1y C 25.3321 -20.2921
2 O2a O 25.9974 -22.1150
3 O2x O 25.9920 -19.0708
4 C1y C 24.0015 -20.2921
5 C1c C 25.9920 -23.5027
6 C1y C 25.3321 -17.8722
7 C1y C 23.3253 -19.0764
8 N1b N 22.9200 -21.7824
9 C1b C 27.1318 -24.2080
10 C1c C 24.8469 -24.1965
11 C1y C 24.0015 -17.8779
12 C1b C 25.9865 -16.6679
13 O1a O 22.0055 -19.0764
14 O2b O 28.2770 -23.5199
15 C1c C 23.7071 -23.4913
16 O1a O 24.9614 -25.4295
17 O1a O 23.3416 -16.6679
18 O1a O 27.1700 -16.7196
19 P1b P 29.5968 -23.5142
20 C1a C 22.5617 -24.1736
21 O1a O 23.7289 -22.2813
22 O1c O 30.9166 -23.5142
23 O1c O 29.6240 -22.0747
24 O1c O 29.5914 -24.9018
25 Z * 20.9475 -23.4568
26 Z * 33.4633 -24.2195
27 C5a C 21.4277 -21.3501
28 C1a C 20.2153 -22.0501
29 O5a O 21.4277 -19.9501
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 5 2 1 #Down
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1
10 6 11 1
11 6 12 1 #Up
12 7 13 1 #Up
13 9 14 1
14 10 15 1
15 10 16 1 #Up
16 11 17 1 #Down
17 12 18 1
18 14 19 1
19 15 20 1
20 15 21 1 #Down
21 19 22 1
22 19 23 1
23 19 24 2
24 20 25 1
25 22 26 1
26 7 11 1
27 8 27 1
28 27 28 1
29 27 29 2
