ATOM 43
1 C8y C 23.2400 -26.2500
2 C8x C 23.2400 -27.6500
3 C8y C 24.5000 -28.3500
4 C8y C 25.6900 -27.6500
5 C8y C 25.6900 -26.2500
6 C8y C 24.5000 -25.5500
7 C8y C 26.8800 -28.3500
8 C8x C 28.2100 -27.6500
9 C8y C 28.2100 -26.2500
10 O2x O 26.8800 -25.5500
11 O5x O 26.8800 -29.6100
12 O1a O 24.5000 -29.6100
13 C8y C 29.4000 -25.6200
14 C8x C 30.5900 -26.2500
15 C8x C 31.7800 -25.5500
16 C8y C 31.7800 -24.1500
17 C8x C 30.5900 -23.4500
18 C8x C 29.4000 -24.1500
19 O2a O 22.0500 -25.5500
20 C1a C 20.8600 -26.2500
21 O1a O 33.0400 -23.4500
22 C1y C 24.5000 -24.1500
23 O2x O 25.6900 -23.4500
24 C1y C 25.6900 -22.0500
25 C1y C 24.5000 -21.3500
26 C1y C 23.3100 -22.0500
27 C1y C 23.3100 -23.4500
28 O2a O 22.1200 -24.1500
29 C1y C 20.9300 -23.4500
30 O1a O 24.5000 -19.9500
31 O1a O 22.1200 -21.3500
32 C1b C 26.9500 -21.3500
33 O1a O 28.1400 -22.1200
34 O2x O 20.9300 -22.0500
35 C1y C 19.6700 -21.3500
36 C1y C 18.4800 -22.0500
37 C1y C 18.4800 -23.4500
38 C1y C 19.6700 -24.1500
39 C1b C 19.6700 -19.9500
40 O1a O 18.4800 -19.2500
41 O1a O 17.2900 -21.3500
42 O1a O 17.2900 -24.1500
43 O1a O 19.6700 -25.3400
BOND 47
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 7 11 2
13 3 12 1
14 9 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 1 19 1
22 19 20 1
23 16 21 1
24 22 6 1 #Up
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 27 28 1 #Down
32 29 28 1 #Up
33 25 30 1 #Down
34 26 31 1 #Up
35 24 32 1 #Up
36 32 33 1
37 29 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 29 38 1
43 35 39 1 #Up
44 39 40 1
45 36 41 1 #Down
46 37 42 1 #Up
47 38 43 1 #Down
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