ATOM 45
1 C1y C 27.3929 -20.5974
2 C1y C 27.3872 -21.9955
3 O2x O 28.5988 -19.8926
4 C1b C 26.1754 -19.8926
5 C1y C 28.5930 -22.6888
6 O7a O 26.1813 -22.6888
7 C1y C 29.8046 -20.5974
8 O2a O 26.1813 -18.4888
9 C1y C 29.8046 -21.9955
10 O1a O 28.5930 -24.0927
11 C7a C 24.9695 -21.9955
12 O2a O 31.0221 -19.8985
13 C1y C 24.9638 -17.7838
14 O1a O 31.0162 -22.6946
15 C2b C 23.7579 -22.6888
16 O6a O 24.9695 -20.5917
17 C1b C 32.2337 -20.6033
18 C1y C 25.0221 -16.3857
19 O2x O 23.7520 -18.4888
20 C2b C 22.5462 -21.9955
21 C1c C 33.4455 -19.8985
22 C1y C 23.7346 -15.6866
23 O1a O 26.1637 -15.6750
24 C1y C 22.5345 -17.7955
25 C8y C 21.3405 -22.6888
26 C8y C 34.6513 -20.6033
27 O1a O 33.4455 -18.4945
28 C1y C 22.5288 -16.3974
29 O1a O 23.7287 -14.2828
30 C1a C 21.3229 -18.5004
31 C8x C 20.1346 -21.9955
32 C8x C 21.3405 -24.0927
33 C8x C 35.8688 -19.9043
34 C8x C 34.6454 -22.0014
35 O1a O 21.3113 -15.6983
36 C8y C 18.9171 -22.6888
37 C8x C 20.1346 -24.7976
38 C8y C 37.0804 -20.6150
39 C8x C 35.8572 -22.7062
40 C8y C 18.9171 -24.0927
41 O1a O 17.7054 -21.9955
42 C8y C 37.0745 -22.0131
43 O1a O 38.2920 -19.9159
44 O1a O 17.7054 -24.7976
45 O1a O 38.2804 -22.7179
BOND 48
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1 #Up
12 13 8 1 #Down
13 9 14 1 #Down
14 11 15 1
15 11 16 2
16 12 17 1
17 13 18 1
18 13 19 1
19 15 20 2
20 17 21 1
21 18 22 1
22 18 23 1 #Up
23 19 24 1
24 20 25 1
25 21 26 1
26 21 27 1
27 22 28 1
28 22 29 1 #Up
29 24 30 1 #Up
30 25 31 1
31 25 32 2
32 26 33 2
33 26 34 1
34 28 35 1 #Down
35 31 36 2
36 32 37 1
37 33 38 1
38 34 39 2
39 36 40 1
40 36 41 1
41 38 42 2
42 38 43 1
43 40 44 1
44 42 45 1
45 7 9 1
46 24 28 1
47 37 40 2
48 39 42 1
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