| KCF data |
 ALIGN 1
1 1:O0 17:O6a #R1
- * 15:C6a #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C08281
ATOM 24
1 C1b C -1.4379 -0.2034
2 C1b C -0.8931 0.1172
3 C1b C -1.9931 0.1103
4 C1b C -0.3276 -0.1897
5 C1b C -2.5414 -0.2207
6 C1b C 0.2414 0.1310
7 C1b C -3.1138 0.0966
8 C1b C 0.7862 -0.1724
9 C1b C -3.6690 -0.2276
10 C1b C 1.3448 0.1414
11 C1b C -4.2241 0.0897
12 C1b C 1.9069 -0.1690
13 C1b C -4.7793 -0.2483
14 C1b C 2.4552 0.1690
15 C6a C -5.3483 0.0724
16 C1b C 3.0103 -0.1448
17 O6a O -5.9069 -0.2655
18 O6a O -5.3379 0.6862
19 C1b C 3.5793 0.1862
20 C1b C 4.1310 -0.1276
21 C1b C 4.6862 0.1897
22 C1b C 5.2448 -0.1172
23 C1b C 5.8103 0.2069
24 C1a C 6.3690 -0.1069
BOND 23
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
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