ATOM 25
1 C2y C 16.2096 -16.9971
2 C1x C 16.2096 -18.4016
3 C1x C 17.4259 -19.1039
4 C1y C 18.6423 -18.4016
5 C1z C 18.6423 -16.9971
6 C1y C 17.4259 -16.2949
7 C1z C 19.8586 -19.1039
8 C1y C 21.0749 -18.4016
9 C1x C 21.0749 -16.9971
10 C1x C 19.8586 -16.2949
11 O1a O 22.2763 -19.0954
12 C1b C 19.2968 -20.3202
13 C1b C 17.4259 -14.8904
14 C1a C 18.6423 -15.5926
15 C2b C 18.6252 -14.1978
16 C2y C 18.6252 -12.7933
17 C7x C 19.7558 -11.9664
18 O7x O 19.3153 -10.6328
19 C1x C 17.9108 -10.6395
20 C1y C 17.4832 -11.9774
21 O6a O 21.0542 -12.3822
22 O1a O 16.1316 -12.4256
23 C1a C 20.8531 -20.0984
24 O1a O 19.2968 -21.7247
25 C2a C 14.9933 -16.2949
BOND 27
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 1
10 9 10 1
11 5 10 1
12 8 11 1 #Up
13 7 12 1 #Up
14 6 13 1 #Up
15 5 14 1 #Up
16 13 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 16 20 1
23 17 21 2
24 20 22 1 #Down
25 7 23 1 #Down
26 12 24 1
27 1 25 2
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