ALIGN 1
1 2:O0 19:O1a #R1
- 1:O0 * #D1
- * 16:C8y #D1
ENTRY1
COMPOUND
C00007
ATOM 2
1 O0 O 24.3446 -17.0048
2 O0 O 25.7446 -17.0048
BOND 1
1 1 2 2
ENTRY2
COMPOUND
C04793
ATOM 23
1 C1y C 29.5732 -16.5571
2 C1z C 29.5672 -15.2109
3 C1y C 28.4184 -17.2324
4 C1x C 31.9258 -16.5571
5 C5x C 30.7349 -14.5239
6 C1x C 28.3996 -14.5414
7 C1a C 29.5527 -13.8282
8 C5x C 27.2320 -16.5688
9 C1b C 28.4243 -18.5832
10 C1x C 31.9141 -15.1992
11 O5x O 30.7289 -13.1253
12 C1x C 27.2261 -15.2239
13 O5x O 26.0710 -17.3101
14 C1b C 27.2565 -19.2656
15 C8y C 27.2449 -20.6103
16 C8y C 28.4300 -21.2741
17 C8y C 26.0830 -21.2857
18 C8y C 28.4300 -22.6377
19 O1a O 29.6384 -20.5755
20 C8x C 26.0947 -22.6437
21 C8x C 27.2682 -23.3189
22 O1a O 29.6103 -23.3115
23 C1a C 24.8714 -20.5954
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 2
11 6 12 1
12 8 13 2
13 9 14 1
14 14 15 1
15 15 16 1
16 15 17 2
17 16 18 2
18 16 19 1
19 17 20 1
20 18 21 1
21 5 10 1
22 8 12 1
23 20 21 2
24 18 22 1
25 17 23 1