ATOM 54
1 C8y C 28.7700 -16.8700
2 C8y C 28.7700 -18.2700
3 C8x C 29.9600 -18.9700
4 C8y C 31.2200 -18.2700
5 C8y C 31.2200 -16.8700
6 C8x C 29.9600 -16.1700
7 C1y C 32.4100 -18.9700
8 C1y C 33.6700 -18.2700
9 C1y C 33.6700 -16.8700
10 C1y C 32.4100 -16.1700
11 O2x O 27.4400 -16.4500
12 C1x C 26.6000 -17.5700
13 O2x O 27.4400 -18.6900
14 C7x C 35.0000 -18.6900
15 O7x O 35.7700 -17.5700
16 C1x C 35.0000 -16.4500
17 O6a O 35.4200 -20.0200
18 C8y C 32.4100 -20.3700
19 C8x C 31.2200 -21.0700
20 C8y C 31.2200 -22.4700
21 C8y C 32.4100 -23.1700
22 C8y C 33.6700 -22.4700
23 C8x C 33.6700 -21.0700
24 O2a O 30.0300 -23.1700
25 O2a O 34.8600 -23.1700
26 C1a C 36.0500 -22.4700
27 C1a C 28.8400 -22.3300
28 O2a O 32.4100 -24.5700
29 O2a O 32.4100 -14.7700
30 C1y C 31.2200 -14.0700
31 C1y C 31.2200 -12.6700
32 C1y C 30.0300 -11.9700
33 C1y C 28.7700 -12.6700
34 C1y C 28.7700 -14.0700
35 O2x O 30.0300 -14.7700
36 O2x O 27.5800 -11.9700
37 C1y C 26.3900 -12.6700
38 O2x O 26.3900 -14.0700
39 C1x C 27.5800 -14.7700
40 O1a O 30.0300 -10.5700
41 C1a C 25.1300 -11.9700
42 O1a O 32.4100 -11.9700
43 C1y C 31.2200 -25.2700
44 O2x O 30.0300 -24.5700
45 C1y C 28.8400 -25.3400
46 C1y C 28.8400 -26.7400
47 C1y C 30.1000 -27.3700
48 C1y C 31.2900 -26.6700
49 O1a O 32.4800 -27.3000
50 O1a O 27.6500 -27.4400
51 C6a C 27.5800 -24.6400
52 O1a O 30.1000 -28.7700
53 O6a O 27.5800 -23.4500
54 O6a O 26.3900 -25.4100 #-
BOND 61
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
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 1 11 1
13 11 12 1
14 12 13 1
15 2 13 1
16 8 14 1
17 14 15 1
18 15 16 1
19 9 16 1
20 14 17 2
21 7 18 1 #Down
22 18 19 2
23 19 20 1
24 20 21 2
25 21 22 1
26 22 23 2
27 18 23 1
28 20 24 1
29 22 25 1
30 25 26 1
31 24 27 1
32 21 28 1
33 10 29 1 #Up
34 30 29 1 #Down
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 30 35 1
41 33 36 1
42 36 37 1
43 37 38 1
44 38 39 1
45 34 39 1
46 32 40 1 #Down
47 37 41 1 #Up
48 31 42 1 #Up
49 43 28 1 #Up
50 43 44 1
51 44 45 1
52 45 46 1
53 46 47 1
54 47 48 1
55 43 48 1
56 48 49 1 #Down
57 46 50 1 #Down
58 45 51 1 #Up
59 47 52 1 #Up
60 51 53 2
61 51 54 1
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