ATOM 48
1 C8x C 19.4600 -12.1800
2 C8y C 19.4600 -13.5800
3 C8x C 20.6500 -14.2800
4 C8y C 21.8400 -13.5800
5 C8y C 21.8400 -12.1800
6 C8x C 20.6500 -11.4800
7 C8y C 12.5300 -17.7100
8 C8y C 12.5300 -19.1100
9 C8x C 13.7900 -19.8100
10 C8x C 14.9800 -19.1100
11 C8y C 14.9800 -17.7100
12 C8x C 13.7900 -17.0100
13 C1y C 18.4100 -14.3500
14 O2x O 17.3600 -13.5100
15 C1x C 16.1700 -14.3500
16 C1y C 17.9200 -15.6800
17 C1y C 16.5900 -15.6800
18 C1y C 16.1700 -17.0100
19 O2x O 17.2900 -17.8500
20 C1x C 18.4100 -17.0100
21 O2a O 11.3400 -17.0100
22 O2a O 11.3400 -19.8100
23 O2a O 23.1000 -11.4800
24 O2a O 23.1000 -14.2800
25 C1a C 24.2900 -13.5800
26 C1a C 10.1500 -17.7100
27 C1y C 10.0800 -20.5100
28 O2x O 8.8900 -19.8100
29 C1y C 7.7000 -20.5100
30 C1y C 7.7000 -21.9100
31 C1y C 8.8900 -22.6100
32 C1y C 10.0800 -21.9100
33 C1b C 6.4400 -19.8100
34 O1a O 8.8900 -24.0100
35 O1a O 6.4400 -22.6100
36 O1a O 11.3400 -22.6100
37 O1a O 5.2500 -20.4400
38 C1y C 24.5700 -10.4300
39 O2x O 25.7600 -11.1300
40 C1y C 26.9500 -10.4300
41 C1y C 26.9500 -9.0300
42 C1y C 25.7600 -8.3300
43 C1y C 24.5700 -9.0300
44 C1b C 28.2100 -11.1300
45 O1a O 25.7600 -6.9300
46 O1a O 28.2100 -8.3300
47 O1a O 23.3100 -8.3300
48 O1a O 29.4000 -10.5000
BOND 53
1 14 15 1
2 15 17 1
3 2 3 1
4 3 4 2
5 4 5 1
6 5 6 2
7 7 8 2
8 16 17 1
9 17 18 1
10 18 19 1
11 19 20 1
12 20 16 1
13 13 2 1 #Down
14 8 9 1
15 9 10 2
16 18 11 1 #Down
17 10 11 1
18 7 21 1
19 11 12 2
20 8 22 1
21 12 7 1
22 6 1 1
23 5 23 1
24 1 2 2
25 4 24 1
26 16 13 1
27 24 25 1
28 13 14 1
29 21 26 1
30 27 22 1 #Up
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 27 32 1
37 29 33 1 #Up
38 31 34 1 #Up
39 30 35 1 #Down
40 32 36 1 #Down
41 33 37 1
42 38 39 1
43 39 40 1
44 40 41 1
45 41 42 1
46 42 43 1
47 38 43 1
48 40 44 1 #Up
49 42 45 1 #Up
50 41 46 1 #Down
51 43 47 1 #Down
52 44 48 1
53 38 23 1 #Up
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