| KCF data |
 ALIGN 1
1 1:O0 10:O1a #R1
- * 7:C1y #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C03089
ATOM 11
1 C1y C -0.2069 0.2966
2 C1y C 0.0207 -0.4207
3 O2x O 0.3966 0.7310
4 C1b C -0.9172 0.5310
5 C1y C 0.7759 -0.4207
6 O1a O -0.4207 -1.0276
7 C1y C 1.0069 0.2966
8 S2a S -1.4793 0.0310
9 O1a O 1.2172 -1.0276
10 O1a O 1.7931 0.7483
11 C1a C -2.1897 0.2655
BOND 11
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1 #Down
9 7 10 1 #Up
10 8 11 1
11 5 7 1
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