ATOM 53
1 C8y C 10.4300 -19.3200
2 C8x C 10.4300 -20.7200
3 C8x C 11.6900 -21.4200
4 C8x C 12.8800 -20.7200
5 C8y C 12.8800 -19.3200
6 C8x C 11.6900 -18.6200
7 C1b C 14.1400 -18.6200
8 N2b N 15.3300 -19.3200 #+
9 C2y C 16.5200 -18.6200
10 C1b C 15.3300 -20.7200
11 C2x C 17.7100 -19.3200
12 C2x C 18.9700 -18.6200
13 C2y C 18.9700 -17.2200
14 C2x C 17.7100 -16.5200
15 C2x C 16.5200 -17.2200
16 C2c C 20.1600 -16.5200
17 C8y C 21.3500 -17.2200
18 C8y C 20.1600 -14.8400
19 C8x C 21.3500 -14.1400
20 C8x C 21.3500 -12.8100
21 C8x C 20.1600 -12.1100
22 C8x C 18.9700 -12.7400
23 C8y C 18.9700 -14.1400
24 S4a S 17.7800 -14.8400
25 O1d O 16.5200 -15.5400 #-
26 O1d O 18.4800 -16.1000
27 O1d O 17.0800 -13.6500
28 C8x C 21.3500 -18.6200
29 C8x C 22.6100 -19.3200
30 C8y C 23.8000 -18.6200
31 C8x C 23.8000 -17.2200
32 C8x C 22.6100 -16.5200
33 N1c N 24.9900 -19.3200
34 C1b C 26.1800 -18.6200
35 C8y C 27.4400 -19.3200
36 C1b C 24.9900 -20.7200
37 C1a C 26.1800 -21.4200
38 C8x C 27.4400 -20.7200
39 C8x C 28.6300 -21.4200
40 C8x C 29.8200 -20.7200
41 C8y C 29.8200 -19.3200
42 C8x C 28.6300 -18.6200
43 S4a S 9.2400 -18.6200
44 O1d O 8.0500 -17.9200 #-
45 O1d O 8.5400 -19.8100
46 O1d O 9.9400 -17.4300
47 S4a S 31.0800 -18.6200
48 O1d O 32.2700 -17.9200 #-
49 O1d O 30.3800 -17.4300
50 O1d O 31.7800 -19.8100
51 C1a C 16.5424 -21.4200
52 N0 N 11.6200 -14.7000 #+
53 N0 N 28.1400 -14.7000 #+
BOND 55
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 5 7 1
8 7 8 1
9 8 9 2
10 8 10 1
11 9 11 1
12 11 12 2
13 12 13 1
14 13 14 1
15 14 15 2
16 9 15 1
17 13 16 2
18 16 17 1
19 16 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 23 24 1
27 24 25 1
28 24 26 2
29 24 27 2
30 17 28 2
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 17 32 1
36 30 33 1
37 33 34 1
38 34 35 1
39 33 36 1
40 36 37 1
41 35 38 2
42 38 39 1
43 39 40 2
44 40 41 1
45 41 42 2
46 35 42 1
47 1 43 1
48 43 44 1
49 43 45 2
50 43 46 2
51 41 47 1
52 47 48 1
53 47 49 2
54 47 50 2
55 10 51 1
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