ATOM 57
1 S2x S 15.3300 -15.3300
2 C8y C 14.2100 -14.4200
3 C8y C 12.8800 -14.7700
4 C1x C 12.2500 -16.0300
5 N1x N 12.9500 -17.3600
6 C8y C 16.4500 -14.4200
7 C8y C 17.7800 -14.7700
8 C1x C 18.4100 -16.0300
9 N1x N 17.7800 -17.2900
10 C8x C 16.1000 -13.0900
11 C8x C 17.0800 -12.0400
12 C8x C 18.4100 -12.3900
13 C8y C 18.7600 -13.7900
14 C8x C 11.9000 -13.7900
15 C8x C 12.2500 -12.3900
16 C8x C 13.5800 -12.0400
17 N5x N 14.5600 -13.0900
18 C1y C 11.9700 -17.8500
19 C5x C 11.9700 -19.2500
20 N1x N 12.9500 -20.2300
21 C1y C 14.3500 -20.2300
22 C5x C 15.3300 -19.2500
23 C5x C 18.4100 -18.5500
24 C1y C 17.7800 -19.8100
25 N1y N 16.4500 -20.0900
26 O5x O 19.8100 -18.5500
27 C1b C 18.6200 -20.9300
28 C8y C 18.6200 -22.3300
29 C8y C 19.7400 -23.1700
30 C8y C 19.3200 -24.4300
31 N4x N 17.9200 -24.4300
32 C8x C 17.5000 -23.1700
33 C8x C 21.1400 -22.8200
34 C8x C 22.0500 -23.8700
35 C8x C 21.6300 -25.2000
36 C8x C 20.3000 -25.4800
37 C1a C 16.1700 -21.4900
38 O5x O 15.3300 -17.8500
39 C8y C 20.0900 -14.1400
40 C8x C 21.1400 -13.1600
41 C8x C 22.4700 -13.5800
42 C8y C 22.8200 -14.9100
43 C8x C 21.8400 -15.8900
44 C8x C 20.4400 -15.5400
45 C6a C 24.1500 -15.2600
46 O6a O 25.2000 -14.2800
47 O6a O 24.5000 -16.5900
48 C1b C 14.3500 -21.6300
49 C1b C 13.1600 -22.3300
50 O5x O 10.7100 -19.8100
51 C1b C 10.7800 -17.1500
52 C1b C 9.5900 -17.8500
53 C1b C 8.4000 -17.1500
54 N1a N 7.2100 -17.8500
55 C1b C 11.9700 -21.6300
56 C1b C 10.7800 -22.3300
57 N1a N 9.5900 -21.6300
BOND 62
1 3 4 1
2 4 5 1
3 2 3 1
4 1 2 1
5 7 8 1
6 8 9 1
7 6 7 1
8 1 6 1
9 6 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 7 13 2
14 3 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 2 17 2
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 9 23 1
24 23 24 1
25 22 25 1
26 24 25 1
27 18 5 1
28 23 26 2
29 24 27 1 #Down
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 28 32 2
36 29 33 2
37 33 34 1
38 34 35 2
39 35 36 1
40 30 36 2
41 25 37 1
42 22 38 2
43 13 39 1
44 39 40 2
45 40 41 1
46 41 42 2
47 42 43 1
48 43 44 2
49 39 44 1
50 42 45 1
51 45 46 2
52 45 47 1
53 21 48 1 #Down
54 48 49 1
55 19 50 2
56 51 52 1
57 18 51 1 #Down
58 52 53 1
59 53 54 1
60 49 55 1
61 55 56 1
62 56 57 1
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