ALIGN 20
1 1:C8y 11:C8y
2 2:C8x 12:C8x
3 3:C8x 10:C8x
4 4:C8y 7:C8y
5 5:C8y 4:C8y
6 6:C8x 8:C8x
7 7:C5x 5:C5x
8 8:C1y 3:C1y
9 9:C1y 1:C1y
10 10:O2x 2:O2x
11 11:C8y 14:C8y
12 12:C8x 15:C8x #M1
13 13:C8y 17:C8x #R1
14 14:C8y 19:C8y #M1
15 15:C8x 18:C8x
16 16:C8x 16:C8x
17 17:O1a 20:O1a
18 19:O5x 9:O5x
19 20:O1a 13:O1a
20 21:O1a 6:O1a
- 18:O1a * #D1
ENTRY1
COMPOUND
C01378
ATOM 21
1 C8y C 8.4700 -21.9100
2 C8x C 8.4700 -23.3100
3 C8x C 9.6824 -24.0100
4 C8y C 10.8949 -23.3100
5 C8y C 10.8949 -21.9100
6 C8x C 9.6824 -21.2100
7 C5x C 12.1073 -24.0100
8 C1y C 13.3197 -23.3100
9 C1y C 13.3197 -21.9100
10 O2x O 12.1073 -21.2100
11 C8y C 14.5173 -21.2185
12 C8x C 15.7056 -21.9045
13 C8y C 16.9180 -21.2045
14 C8y C 16.9180 -19.8045
15 C8x C 15.7297 -19.1185
16 C8x C 14.5173 -19.8185
17 O1a O 18.1444 -19.0963
18 O1a O 18.1492 -21.9155
19 O5x O 12.1073 -25.4100
20 O1a O 7.2576 -21.2100
21 O1a O 14.5173 -24.0015
BOND 23
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1 #Down
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 14 17 1
20 13 18 1
21 7 19 2
22 1 20 1
23 8 21 1 #Up
ENTRY2
COMPOUND
C09751
ATOM 20
1 C1y C 5.4165 -11.8876
2 O2x O 4.7061 -11.4669
3 C1y C 5.4130 -12.7186
4 C8y C 3.9855 -11.8807
5 C5x C 4.6958 -13.1255
6 O1a O 6.1303 -13.1324
7 C8y C 3.9820 -12.7117
8 C8x C 3.2682 -11.4669
9 O5x O 4.6924 -13.9566
10 C8x C 3.2682 -13.1221
11 C8y C 2.5475 -11.8807
12 C8x C 2.5475 -12.7117
13 O1a O 1.8303 -11.4635
14 C8y C 6.1372 -11.4738
15 C8x C 6.8510 -11.8945
16 C8x C 6.1406 -10.6462
17 C8x C 7.5717 -11.4842
18 C8x C 6.8579 -10.2393
19 C8y C 7.5751 -10.6531
20 O1a O 8.2958 -10.2428
BOND 22
1 4 8 1
2 5 9 2
3 7 10 1
4 8 11 2
5 10 12 2
6 11 13 1
7 5 7 1
8 11 12 1
9 1 14 1 #Down
10 1 2 1
11 1 3 1
12 2 4 1
13 3 5 1
14 3 6 1 #Up
15 4 7 2
16 14 15 2
17 14 16 1
18 15 17 1
19 16 18 2
20 17 19 2
21 19 20 1
22 18 19 1
