ALIGN 1
1 2:O0 22:O6a #R1
- 1:O0 * #D1
- * 19:C6a #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
C20149
ATOM 22
1 C1x C 14.3549 -15.7577
2 C1x C 14.3549 -17.1464
3 C1z C 15.5353 -17.8408
4 C1y C 16.8546 -17.1464
5 C1z C 16.8546 -15.7577
6 C1x C 15.5353 -15.0634
7 C1x C 18.0350 -17.8408
8 C2x C 19.2848 -17.1464
9 C2y C 19.2848 -15.7577
10 C1y C 18.0350 -15.0634
11 C1x C 20.4652 -15.0634
12 C1z C 20.4652 -13.6747
13 C1x C 19.2848 -12.9803
14 C1x C 18.0350 -13.6747
15 C1a C 16.7851 -14.3690
16 C2b C 21.6456 -12.9803
17 C2a C 22.8954 -13.6747
18 C1a C 20.4652 -12.2860
19 C6a C 15.5353 -19.2989
20 C1a C 14.3549 -18.6046
21 O6a O 16.7851 -19.9933
22 O6a O 14.3384 -20.0032
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 5 15 1 #Up
18 12 16 1 #Up
19 16 17 2
20 12 18 1 #Down
21 3 19 1
22 3 20 1 #Down
23 19 21 2
24 19 22 1
