ATOM 66
1 C1b C 39.6900 -24.8500
2 C1c C 38.5000 -25.5500
3 C8y C 40.8800 -25.5500
4 C8x C 42.0700 -24.8500
5 C8x C 43.3300 -25.5500
6 C8x C 43.3300 -26.9500
7 C8x C 42.1400 -27.6500
8 C8x C 40.8800 -26.9500
9 N1b N 37.3100 -24.8500
10 C5a C 36.1200 -25.5500
11 C1c C 34.9300 -24.8500
12 O5a O 36.1200 -26.9500
13 C1c C 33.7400 -25.5500
14 C1a C 34.9300 -23.4500
15 O2a O 32.5500 -24.8500
16 C1a C 32.5500 -23.4500
17 C1y C 33.7400 -26.9500
18 C1x C 34.8600 -27.7900
19 C1x C 34.4400 -29.1200
20 C1x C 32.9700 -29.1200
21 N1y N 32.5500 -27.7900
22 C5a C 31.3600 -27.0900
23 C1b C 30.1700 -27.7900
24 O5a O 31.3600 -25.6900
25 C1c C 28.9800 -27.0900
26 C1c C 27.7900 -27.7900
27 O2a O 28.9800 -25.6900
28 C6a C 38.5000 -26.9500
29 O6a O 39.6900 -27.6500
30 O6a O 37.3100 -27.6500
31 N1c N 26.6000 -27.0900
32 C1c C 27.7900 -29.1900
33 C1a C 28.9800 -29.8900
34 C1b C 26.6000 -29.8900
35 C5a C 25.4100 -27.7900
36 C1a C 26.6000 -25.6900
37 C1c C 24.2200 -27.0900
38 C1a C 26.6000 -31.2900
39 O5a O 25.4100 -29.1900
40 N1b N 23.0300 -27.7900
41 C1c C 24.2200 -25.6900
42 C1a C 25.4800 -25.0600
43 C1a C 23.0300 -24.9200
44 C5a C 21.7700 -27.0900
45 C1c C 20.5800 -27.8600
46 O5a O 21.7700 -25.6900
47 N1c N 19.3900 -27.1600
48 C5a C 18.2000 -27.8600
49 C1a C 19.3900 -25.7600
50 C1c C 20.5800 -29.2600
51 C1a C 21.7700 -29.9600
52 C1a C 19.3900 -29.9600
53 O5a O 18.2000 -29.2600
54 C1a C 30.1700 -24.9900
55 C1b C 17.0100 -27.1600
56 C1b C 15.8200 -27.8600
57 C1b C 14.6300 -27.1600
58 C1b C 13.4400 -27.8600
59 C1b C 12.2500 -27.1600
60 N1y N 11.0600 -27.8600
61 C5x C 11.0600 -29.2600
62 C2x C 9.7300 -29.7500
63 C2x C 8.8900 -28.6300
64 C5x C 9.6600 -27.4400
65 O5x O 9.1700 -26.1100
66 O5x O 12.2500 -30.0300
BOND 68
1 2 1 1 #Up
2 1 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 2
8 3 8 1
9 2 9 1
10 9 10 1
11 10 11 1
12 10 12 2
13 11 13 1
14 11 14 1 #Up
15 13 15 1 #Down
16 15 16 1
17 13 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 17 21 1
23 22 23 1
24 22 21 1
25 22 24 2
26 23 25 1
27 25 26 1
28 25 27 1 #Down
29 2 28 1
30 28 29 1
31 28 30 2
32 26 31 1
33 26 32 1
34 32 33 1 #Up
35 32 34 1
36 31 35 1
37 31 36 1
38 35 37 1
39 34 38 1
40 35 39 2
41 37 40 1
42 37 41 1 #Up
43 41 42 1
44 41 43 1
45 40 44 1
46 44 45 1
47 44 46 2
48 45 47 1
49 47 48 1
50 47 49 1
51 45 50 1 #Down
52 50 51 1
53 50 52 1
54 48 53 2
55 27 54 1
56 48 55 1
57 55 56 1
58 56 57 1
59 57 58 1
60 58 59 1
61 59 60 1
62 60 61 1
63 61 62 1
64 62 63 2
65 63 64 1
66 60 64 1
67 64 65 2
68 61 66 2
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