ATOM 25
1 O2a O 30.5179 -19.9269
2 C1y C 29.2013 -20.8575
3 O2x O 28.0019 -20.1485
4 C1y C 29.1986 -22.2489
5 C1y C 26.7890 -20.8311
6 C1y C 27.9775 -22.9408
7 O1a O 30.3977 -22.9649
8 C1y C 26.7755 -22.2298
9 C1b C 25.5868 -20.1275
10 O1a O 27.9691 -24.3420
11 O1a O 25.5597 -22.9245
12 O1a O 24.3775 -20.8101
13 C1y C 29.2908 -17.8890
14 C1z C 27.9536 -18.3214
15 C1z C 29.2908 -16.4934
16 C1y C 30.5052 -18.5902
17 C1y C 27.2124 -17.1363
18 O2x O 26.5578 -18.3099
19 C1a C 27.2826 -19.5477
20 C1y C 27.9536 -16.0563
21 C2x C 30.5052 -15.7932
22 O1a O 29.2731 -15.0919
23 O2x O 31.7081 -17.8890
24 O1a O 27.5211 -14.7307
25 C2x C 31.7081 -16.4934
BOND 28
1 2 4 1
2 3 5 1
3 4 6 1
4 4 7 1 #Down
5 5 8 1
6 5 9 1 #Up
7 6 10 1 #Up
8 8 11 1 #Down
9 6 8 1
10 9 12 1
11 2 1 1 #Up
12 2 3 1
13 13 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 15 21 1
21 15 22 1 #Up
22 16 23 1
23 20 24 1 #Up
24 21 25 2
25 17 18 1
26 17 20 1
27 23 25 1
28 16 1 1 #Up
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