ATOM 54
1 C1z C 28.2800 -29.3300
2 C1x C 28.2800 -30.8000
3 C1x C 29.5400 -31.5000
4 C1z C 30.7300 -30.8000
5 C1y C 30.7300 -29.3300
6 C1x C 29.4700 -28.7000
7 C1x C 31.9900 -31.5000
8 C1x C 33.1800 -30.8000
9 C1z C 33.1800 -29.3300
10 C2y C 31.9900 -28.7000
11 C1z C 34.3700 -28.7000
12 C1y C 34.3700 -27.2300
13 C1x C 33.1800 -26.5300
14 C2x C 31.9900 -27.2300
15 C1a C 33.1800 -28.2100
16 C1a C 34.3700 -30.0300
17 C6a C 30.7300 -32.2700
18 O6a O 29.4700 -32.9700
19 O6a O 31.9200 -32.9700
20 C1x C 35.6300 -29.4000
21 C1x C 36.8200 -28.7000
22 C1y C 36.8200 -27.2300
23 C1z C 35.6300 -26.5300
24 C1z C 38.1500 -26.5300
25 C1y C 38.1500 -25.1300
26 C1x C 36.8200 -24.4300
27 C1x C 35.6300 -25.1300
28 C1a C 35.6300 -27.5100
29 C1b C 39.4800 -27.3000
30 O2a O 39.3400 -24.4300
31 C1a C 38.1500 -27.9300
32 C1a C 26.9500 -28.9100
33 C1a C 28.2800 -27.6500
34 C1y C 40.5300 -25.1300
35 O2x O 40.5300 -26.5300
36 C1x C 41.7900 -27.2300
37 C1y C 42.9800 -26.5300
38 C1y C 42.9800 -25.1300
39 C1y C 41.7900 -24.4300
40 O1a O 44.1700 -27.2300
41 O2a O 41.7900 -23.0300
42 O1a O 44.1700 -24.4300
43 O1a O 39.4800 -28.7700
44 C1y C 40.5300 -22.3300
45 C1y C 40.5300 -20.9300
46 C1y C 39.3400 -20.2300
47 C1y C 38.1500 -20.9300
48 C1y C 38.1500 -22.3300
49 O2x O 39.3400 -23.0300
50 O1a O 41.7900 -20.2300
51 O1a O 36.9600 -20.2300
52 O1a O 39.3400 -18.8300
53 C1b C 36.9600 -23.0300
54 O1a O 35.7000 -22.4000
BOND 60
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 2
17 9 15 1 #Up
18 11 16 1 #Down
19 4 17 1 #Down
20 17 18 1
21 17 19 2
22 11 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 12 23 1
27 22 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 23 27 1
32 23 28 1 #Down
33 24 29 1
34 25 30 1 #Down
35 24 31 1 #Down
36 1 32 1
37 1 33 1
38 34 30 1 #Up
39 34 35 1
40 35 36 1
41 36 37 1
42 37 38 1
43 38 39 1
44 34 39 1
45 37 40 1 #Up
46 39 41 1 #Down
47 38 42 1 #Up
48 29 43 1
49 44 41 1 #Down
50 44 45 1
51 45 46 1
52 46 47 1
53 47 48 1
54 48 49 1
55 44 49 1
56 45 50 1 #Up
57 47 51 1 #Up
58 46 52 1 #Down
59 48 53 1 #Down
60 53 54 1
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