ATOM 55
1 C1y C 34.3700 -24.1500
2 C1y C 34.3700 -25.5500
3 C1y C 35.5600 -26.2500
4 C1y C 36.8200 -25.5500
5 C1y C 36.8200 -24.1500
6 O2x O 35.5600 -23.4500
7 C1b C 38.0100 -23.4500
8 O7a O 35.5600 -27.6500
9 O1a O 38.0100 -26.3200
10 O2a O 33.1800 -26.2500
11 O2a O 33.1800 -23.4500
12 C7a C 36.8200 -28.3500
13 C2b C 38.0100 -27.6500
14 O6a O 36.8200 -29.7500
15 C2b C 39.2700 -28.3500
16 C8y C 40.3900 -27.6500
17 C8x C 41.5800 -28.3500
18 C8y C 42.8400 -27.6500
19 C8y C 42.8400 -26.2500
20 C8x C 41.6500 -25.5500
21 C8x C 40.3900 -26.2500
22 O1a O 44.0300 -25.5500
23 O1a O 44.0300 -28.3500
24 C1y C 31.9900 -26.9500
25 O2x O 30.7300 -26.2500
26 C1y C 29.5400 -26.9500
27 C1y C 29.5400 -28.3500
28 C1y C 30.7300 -29.0500
29 C1y C 31.9900 -28.3500
30 C1a C 28.2800 -26.2500
31 O1a O 28.2800 -29.0500
32 O1a O 30.7300 -30.4500
33 O1a O 33.1800 -29.0500
34 C1b C 33.1800 -22.0500
35 C1b C 31.9900 -21.3500
36 C8y C 30.7300 -22.1200
37 C8x C 29.5400 -21.4200
38 C8y C 28.3500 -22.1200
39 C8y C 28.3500 -23.5200
40 C8x C 29.5400 -24.2200
41 C8x C 30.7300 -23.5200
42 O1a O 27.0900 -24.2200
43 O1a O 27.0900 -21.4200
44 O2a O 39.2281 -24.1401
45 C1y C 40.4095 -23.4450
46 O2x O 41.6149 -24.1280
47 C1y C 42.8216 -23.4182
48 C1y C 42.8103 -22.0182
49 C1y C 41.6049 -21.3353
50 C1y C 40.3982 -22.0451
51 O1a O 39.1761 -21.3526
52 O1a O 41.5934 -19.9501
53 O1a O 44.0245 -21.3037
54 C1b C 44.0674 -24.1235
55 O1a O 45.2858 -23.4058
BOND 59
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 5 7 1
8 3 8 1
9 4 9 1
10 2 10 1
11 1 11 1
12 8 12 1
13 12 13 1
14 12 14 2
15 13 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 19 22 1
24 18 23 1
25 10 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 24 29 1
32 26 30 1
33 27 31 1
34 28 32 1
35 29 33 1
36 11 34 1
37 34 35 1
38 35 36 1
39 36 37 2
40 37 38 1
41 38 39 2
42 39 40 1
43 40 41 2
44 36 41 1
45 39 42 1
46 38 43 1
47 7 44 1
48 44 45 1
49 45 46 1
50 46 47 1
51 47 48 1
52 48 49 1
53 49 50 1
54 45 50 1
55 50 51 1
56 49 52 1
57 48 53 1
58 47 54 1
59 54 55 1
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