ALIGN 1
1 9:O6a 7:O1a #R1
- 8:C6a * #D1
- * 3:C1y #D1
ENTRY1
COMPOUND
C00025
ATOM 10
1 C1c C 20.3373 -15.3609
2 C1b C 21.5254 -14.6234
3 C6a C 19.1024 -14.6995
4 N1a N 20.3782 -16.7596
5 C1b C 22.7603 -15.2789
6 O6a O 17.9435 -15.4955
7 O6a O 19.1199 -13.3008
8 C6a C 23.9484 -14.5415
9 O6a O 25.1832 -15.2029
10 O6a O 23.9016 -13.1427
BOND 9
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 8 9 1
9 8 10 2
ENTRY2
COMPOUND
C00251
ATOM 16
1 C1y C 20.9144 -17.1938
2 C2x C 20.9144 -15.7895
3 C1y C 19.6897 -17.9120
4 O2a O 22.1900 -17.9629
5 C2y C 19.6897 -15.0906
6 C2x C 18.4777 -17.1938
7 O1a O 19.6833 -19.3036
8 C2c C 23.3956 -17.2638
9 C2x C 18.4777 -15.7895
10 C6a C 19.6833 -13.6926
11 C6a C 24.6075 -17.9564
12 C2a C 23.3956 -15.9360
13 O6a O 20.8952 -13.0000
14 O6a O 18.4714 -13.0065
15 O6a O 24.6075 -19.3543
16 O6a O 25.6731 -17.3210
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 2
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1
10 8 11 1
11 8 12 2
12 10 13 1
13 10 14 2
14 11 15 1
15 11 16 2
16 6 9 2
