ATOM 57
1 C8y C 26.4600 -22.5400
2 C8y C 26.4600 -23.9400
3 C5x C 27.6500 -24.5700
4 C1z C 28.8400 -23.9400
5 C1z C 28.8400 -22.5400
6 O2x O 27.6500 -21.8400
7 C8x C 25.2700 -21.8400
8 C8y C 24.0800 -22.5400
9 C8y C 24.0800 -23.9400
10 C8y C 25.2700 -24.5700
11 O1a O 25.2700 -25.9700
12 O5x O 27.6500 -25.9700
13 O2x O 30.1700 -24.3600
14 C8y C 31.0100 -23.2400
15 C8y C 30.1700 -22.1200
16 C8x C 32.3400 -23.1000
17 C8y C 32.9000 -21.8400
18 C8x C 32.0600 -20.7900
19 C8x C 30.7300 -20.8600
20 O1a O 34.3000 -21.8400
21 O1a O 28.8400 -21.1400
22 C1b C 28.8400 -25.2700
23 O1a O 22.8900 -21.8400
24 C1y C 22.8900 -24.5700
25 C2b C 30.0300 -25.9700
26 C2c C 30.0300 -27.3700
27 C1a C 28.8400 -28.0700
28 C1a C 31.2900 -28.0700
29 C1z C 20.4400 -24.5700
30 C1x C 20.4400 -25.9700
31 C2y C 21.6300 -26.6700
32 C2x C 22.8900 -25.9700
33 C1x C 21.6300 -23.8700
34 C1a C 21.6128 -28.0699
35 C5a C 19.2247 -23.8749
36 C8y C 18.0363 -24.5677
37 O5a O 19.2189 -22.4703
38 C8y C 16.8399 -23.8835
39 C8x C 18.0420 -25.9699
40 C8y C 15.6587 -24.5720
41 C8y C 15.6587 -25.9720
42 C8x C 16.8711 -26.6720
43 O1a O 14.4632 -26.6624
44 C1b C 14.4601 -23.8831
45 C2b C 13.2771 -24.5693
46 C2c C 12.0809 -23.8817
47 C1a C 10.8967 -24.5685
48 C1a C 12.0779 -22.4704
49 O1a O 16.8399 -22.4835
50 C8y C 20.4400 -21.9100
51 C8x C 21.6524 -21.2100
52 C8x C 21.6524 -19.8100
53 C8y C 20.4400 -19.1100
54 C8x C 19.2276 -19.8100
55 C8y C 19.2276 -21.2100
56 O1a O 20.4400 -17.7100
57 O1a O 18.0321 -21.9004
BOND 63
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 2 10 2
12 10 11 1
13 3 12 2
14 4 13 1
15 13 14 1
16 14 15 1
17 5 15 1
18 14 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 15 19 2
23 17 20 1
24 5 21 1
25 4 22 1
26 8 23 1
27 24 9 1 #Up
28 22 25 1
29 25 26 2
30 26 27 1
31 26 28 1
32 29 30 1
33 30 31 1
34 31 32 2
35 32 24 1
36 24 33 1
37 29 33 1
38 31 34 1
39 29 35 1
40 35 36 1
41 35 37 2
42 36 38 2
43 36 39 1
44 38 40 1
45 40 41 2
46 41 42 1
47 42 39 2
48 41 43 1
49 40 44 1
50 44 45 1
51 45 46 2
52 46 47 1
53 46 48 1
54 38 49 1
55 29 50 1 #Up
56 50 51 1
57 51 52 2
58 52 53 1
59 53 54 2
60 54 55 1
61 50 55 2
62 53 56 1
63 55 57 1
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