ATOM 50
1 C1b C 23.2877 -20.3095
2 C8y C 30.4921 -20.2884
3 C8y C 19.9663 -13.8947
4 C8y C 21.3566 -13.8947
5 C8x C 22.0517 -12.6905
6 C8x C 21.3566 -11.4864
7 C8x C 19.9663 -11.4864
8 C8x C 19.2711 -12.6905
9 C8y C 19.6839 -15.2502
10 C8x C 20.8790 -15.9414
11 N4x N 21.9058 -15.0179
12 C1a C 11.2874 -17.5639
13 C1b C 12.4881 -18.2522
14 C1d C 13.6888 -17.5570
15 O7a O 14.8896 -18.2451
16 C7a C 16.0903 -17.5500
17 N1b N 17.2910 -18.2381
18 C1c C 18.4917 -17.5429
19 C5a C 19.6924 -18.2312
20 N1b N 20.8931 -17.5359
21 C1c C 22.0939 -18.2240
22 C5a C 23.2945 -17.5289
23 N1b N 24.4953 -18.2170
24 C1c C 25.6961 -17.5218
25 C5a C 26.8967 -18.2101
26 N1b N 28.0975 -17.5150
27 C1c C 29.2983 -18.2030
28 C5a C 30.4989 -17.5078
29 C1a C 13.7512 -18.9474
30 C1a C 13.7512 -16.1669
31 O6a O 16.0834 -16.1597
32 C1b C 18.4848 -15.9449
33 O5a O 19.6855 -19.6214
34 C1b C 22.0870 -19.6144
35 C1b C 25.6891 -15.5775
36 O5a O 23.2877 -16.1387
37 O5a O 26.8899 -19.6004
38 C1b C 29.2913 -19.5933
39 O5a O 30.4921 -16.1176
40 N1a N 31.6997 -18.2030
41 C6a C 26.8899 -14.8823
42 O6a O 28.0906 -15.5706
43 O6a O 26.8828 -13.4920
44 S2a S 23.2833 -21.6999
45 C1a C 24.4852 -22.3987
46 C8x C 30.4902 -21.6997
47 C8x C 31.7017 -22.4013
48 C8x C 32.9151 -21.7029
49 C8x C 32.9170 -20.2916
50 C8x C 31.7055 -19.5900
BOND 52
1 8 3 1
2 20 21 1
3 21 22 1
4 22 23 1
5 23 24 1
6 9 10 2
7 24 25 1
8 10 11 1
9 25 26 1
10 11 4 1
11 26 27 1
12 3 9 1
13 27 28 1
14 14 29 1
15 14 30 1
16 12 13 1
17 16 31 2
18 18 32 1 #Up
19 13 14 1
20 19 33 2
21 21 34 1 #Down
22 14 15 1
23 24 35 1 #Up
24 3 4 2
25 22 36 2
26 15 16 1
27 25 37 2
28 4 5 1
29 27 38 1 #Down
30 16 17 1
31 28 39 2
32 5 6 2
33 28 40 1
34 32 9 1
35 34 1 1
36 17 18 1
37 35 41 1
38 6 7 1
39 41 42 1
40 38 2 1
41 18 19 1
42 41 43 2
43 7 8 2
44 1 44 1
45 19 20 1
46 44 45 1
47 2 46 2
48 46 47 1
49 47 48 2
50 48 49 1
51 49 50 2
52 2 50 1
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