ALIGN 26
1 1:C1x 1:C1x #M1
2 2:C5x 2:C1y #R1
3 3:C1x 3:C1x #M1
4 4:C1z 4:C1z
5 5:C1y 5:C1y
6 6:C5x 6:C5x
7 7:C1b 7:C1b
8 8:C5a 8:C5a
9 9:C1b 9:C1b
10 10:C5a 10:C5a
11 11:C1b 11:C1b
12 12:C5a 12:C5a
13 13:C5a 13:C5a
14 14:C1b 14:C1b
15 15:C5a 15:C5a
16 16:O5x 16:O5x
17 17:O5a 17:O5a
18 18:O5a 18:O5a
19 19:O5a 19:O5a
20 20:O5a 20:O5a
21 21:O5a 21:O5a
22 22:C1a 22:C1a
23 23:O5x 23:O1a #M1
24 24:S2a 24:S2a
25 25:O1a 25:O1a
26 26:R 26:R
ENTRY1
COMPOUND
C18327
ATOM 26
1 C1x C 20.8579 -16.1772
2 C5x C 20.8579 -14.3278
3 C1x C 22.0910 -13.5741
4 C1z C 23.3240 -14.3278
5 C1y C 23.3240 -16.1772
6 C5x C 22.0910 -16.8622
7 C1b C 24.5570 -13.5741
8 C5a C 25.7901 -14.3278
9 C1b C 25.7901 -16.1772
10 C5a C 24.5570 -16.8622
11 C1b C 27.0916 -13.5741
12 C5a C 28.2561 -14.3278
13 C5a C 27.0916 -16.8622
14 C1b C 29.4207 -13.5741
15 C5a C 30.6537 -14.3278
16 O5x O 22.0910 -18.3009
17 O5a O 24.5570 -18.3009
18 O5a O 27.0916 -18.3009
19 O5a O 28.2561 -15.2868
20 O5a O 30.6537 -15.2868
21 O5a O 25.7901 -15.2868
22 C1a C 28.2561 -16.1772
23 O5x O 19.6935 -13.6427
24 S2a S 31.8868 -13.6427
25 O1a O 23.3240 -12.9491
26 R R 33.2868 -13.6427
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 5 6 1
5 1 6 1
6 4 7 1
7 7 8 1
8 9 10 1
9 5 10 1
10 8 11 1
11 11 12 1
12 9 13 1
13 12 14 1
14 14 15 1
15 6 16 2
16 10 17 2
17 13 18 2
18 12 19 2
19 15 20 2
20 8 21 2
21 13 22 1
22 2 23 2
23 15 24 1
24 4 5 1
25 4 25 1
26 24 26 1
ENTRY2
COMPOUND
C18328
ATOM 26
1 C1x C 20.8577 -16.1771
2 C1y C 20.8577 -14.3277
3 C1x C 22.0908 -13.5740
4 C1z C 23.3238 -14.3277
5 C1y C 23.3238 -16.1771
6 C5x C 22.0908 -16.8621
7 C1b C 24.5568 -13.5740
8 C5a C 25.7899 -14.3277
9 C1b C 25.7899 -16.1771
10 C5a C 24.5568 -16.8621
11 C1b C 27.0914 -13.5740
12 C5a C 28.2559 -14.3277
13 C5a C 27.0914 -16.8621
14 C1b C 29.4205 -13.5740
15 C5a C 30.6535 -14.3277
16 O5x O 22.0908 -18.3008
17 O5a O 24.5568 -18.3008
18 O5a O 27.0914 -18.3008
19 O5a O 28.2559 -15.2867
20 O5a O 30.6535 -15.2867
21 O5a O 25.7899 -15.2867
22 C1a C 28.2559 -16.1771
23 O1a O 19.6934 -13.6426
24 S2a S 31.8866 -13.6426
25 O1a O 23.3238 -12.9490
26 R R 33.2866 -13.6426
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 5 6 1
5 1 6 1
6 4 7 1
7 7 8 1
8 9 10 1
9 5 10 1
10 8 11 1
11 11 12 1
12 9 13 1
13 12 14 1
14 14 15 1
15 6 16 2
16 10 17 2
17 13 18 2
18 12 19 2
19 15 20 2
20 8 21 2
21 13 22 1
22 2 23 1
23 15 24 1
24 4 5 1
25 4 25 1
26 24 26 1
