| KCF data |
 ALIGN 1
1 1:O0 8:O1a #R1
- * 3:C1y #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C01132
ATOM 15
1 C1y C 0.3586 0.0276
2 C1y C -0.3379 -0.3759
3 C1y C 0.3586 0.8276
4 N1b N 0.9724 -0.5759
5 C1y C -1.0241 0.0276
6 O1a O -0.3345 -1.1724
7 O2x O -0.3379 1.2310
8 O1a O 1.0552 1.2310
9 C5a C 1.7621 -1.0103
10 C1y C -1.0241 0.8276
11 O1a O -1.7138 -0.3759
12 C1a C 2.5345 -0.6103
13 O5a O 1.7655 -1.9862
14 C1b C -1.7138 1.2310
15 O1a O -2.3241 0.7069
BOND 15
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Either
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 9 12 1
12 9 13 2
13 10 14 1 #Up
14 14 15 1
15 7 10 1
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