ATOM 28
1 C1y C 27.6530 -20.3388
2 C1y C 26.4695 -19.6800
3 C1y C 28.8074 -19.6683
4 C1x C 27.6588 -21.6914
5 C1z C 25.3093 -20.3562
6 C1x C 26.4638 -18.3333
7 C1z C 28.8657 -18.3274
8 C1x C 31.1685 -19.6683
9 C1x C 26.4869 -22.3851
10 C1y C 25.3268 -21.7088
11 C1x C 24.1432 -19.6916
12 C1a C 25.3034 -19.0153
13 C1x C 27.6297 -17.6570
14 C1y C 29.9733 -17.6337
15 C1a C 28.8540 -16.9165
16 C1x C 31.1511 -18.3157
17 C1x C 24.1549 -22.3967
18 C1y C 22.9715 -20.3679
19 O2a O 29.9676 -16.2228
20 C5x C 22.9774 -21.7205
21 O5x O 21.7706 -22.4201
22 C1a C 21.7499 -19.6660
23 C1y C 31.1800 -15.5228
24 O2x O 32.3769 -16.2143
25 C1x C 33.5896 -15.5146
26 C1x C 33.5899 -14.1146
27 C1x C 32.3930 -13.4231
28 C1x C 31.1804 -14.1228
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 14 19 1 #Up
19 17 20 1
20 20 21 2
21 7 13 1
22 9 10 1
23 14 16 1
24 18 20 1
25 18 22 1 #Down
26 19 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
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