ATOM 46
1 C8y C 26.0732 -15.9750
2 C8y C 27.2688 -15.2826
3 C8y C 26.0093 -17.3589
4 C8y C 24.8662 -15.2806
5 C8y C 28.4656 -15.9713
6 C8y C 27.2677 -13.9017
7 C8y C 24.8828 -18.0642
8 O7x O 27.2839 -18.0452
9 C8y C 23.6646 -15.9831
10 C8y C 24.8630 -13.8917
11 C8y C 28.4745 -17.3499
12 C8y C 29.6583 -15.2840
13 O7x O 26.0696 -13.1922
14 C8x C 28.4713 -13.2073
15 C8y C 23.6729 -17.3749
16 C8y C 24.8209 -19.4561
17 O1a O 22.4577 -15.2887
18 O6a O 23.6560 -13.1975
19 O6a O 29.6844 -18.0393
20 C8x C 29.6681 -13.8958
21 C1a C 30.8652 -15.9784
22 C8x C 22.4714 -18.0774
23 O2a O 26.1059 -20.1482
24 C8x C 23.6896 -20.1585
25 C8x C 22.4797 -19.4692
26 C1y C 26.1000 -21.8013
27 C1y C 27.3885 -22.4752
28 O2x O 24.9079 -22.5226
29 O2a O 28.5156 -21.7569
30 C1y C 27.3478 -23.8656
31 C1y C 24.9322 -23.9099
32 C1y C 29.9101 -20.9286
33 C1y C 26.1558 -24.5870
34 C1a C 23.7423 -24.6393
35 C1y C 31.1248 -21.6207
36 O2x O 29.9068 -19.5398
37 O1a O 26.1821 -25.9823
38 C1y C 32.3264 -20.9183
39 O1a O 31.1331 -23.0126
40 C1y C 31.1033 -18.8343
41 C1y C 32.3181 -19.5263
42 O2a O 33.5393 -21.6025
43 C1a C 31.1001 -17.4454
44 O1a O 33.5198 -18.8239
45 C1a C 33.5474 -22.9942
46 O1a O 28.5743 -24.5402
BOND 52
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 6 14 2
14 7 15 2
15 7 16 1
16 9 17 1
17 10 18 2
18 11 19 2
19 12 20 2
20 12 21 1
21 15 22 1
22 16 23 1
23 16 24 2
24 22 25 2
25 26 23 1 #Up
26 26 27 1
27 26 28 1
28 27 29 1 #Down
29 27 30 1
30 28 31 1
31 32 29 1 #Up
32 30 33 1
33 31 34 1 #Up
34 32 35 1
35 32 36 1
36 33 37 1 #Up
37 35 38 1
38 35 39 1 #Up
39 36 40 1
40 38 41 1
41 38 42 1 #Down
42 40 43 1 #Down
43 41 44 1 #Down
44 42 45 1
45 8 11 1
46 9 15 1
47 10 13 1
48 14 20 1
49 24 25 1
50 31 33 1
51 40 41 1
52 30 46 1 #Up
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