ATOM 27
1 O2x O 27.2820 -17.7950
2 C1y C 28.6831 -17.7950
3 C1x C 29.6758 -18.7805
4 C7x C 29.6758 -20.4616
5 O7x O 28.6831 -21.4543
6 C1y C 27.2820 -21.4543
7 C1x C 26.2963 -20.4616
8 C1z C 26.2963 -18.7805
9 C2x C 30.8882 -21.1616
10 C2y C 32.1006 -20.4616
11 C1y C 32.1006 -18.7805
12 C1x C 30.8882 -18.0805
13 C1x C 33.3131 -21.1616
14 C1x C 34.6655 -20.4616
15 C2x C 34.6655 -18.7805
16 C2x C 33.3131 -18.0805
17 C1a C 32.1607 -19.9104
18 C1a C 32.1006 -22.0716
19 O6a O 30.0381 -22.0939
20 C1x C 28.6831 -19.6150
21 C1y C 25.0162 -18.2499
22 C1x C 24.5890 -16.9151
23 S2x S 23.1890 -16.9085
24 C5x C 22.7500 -18.2379
25 N1x N 23.8787 -19.0662
26 O1a O 25.1664 -19.7704
27 O5x O 21.4074 -18.6668
BOND 29
1 1 2 1
2 2 3 1
3 4 5 1
4 5 6 1
5 6 7 1
6 7 8 1
7 8 1 1
8 4 9 1
9 9 10 2
10 11 12 1
11 3 12 1
12 10 13 1
13 13 14 1
14 14 15 1
15 15 16 2
16 11 16 1
17 11 17 1 #Up
18 10 18 1
19 4 19 2
20 2 20 1 #Up
21 6 20 1 #Down
22 8 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 21 25 1
28 8 26 1 #Up
29 24 27 2
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