ATOM 55
1 C1c C 35.9809 -18.9153
2 C1b C 35.9877 -20.3127
3 C8y C 37.2074 -20.9986
4 C8x C 38.4077 -20.2914
5 C8x C 39.6274 -20.9773
6 C8x C 39.6396 -22.3776
7 C8x C 38.4322 -23.0917
8 C8x C 37.2196 -22.3987
9 C5a C 33.5563 -18.9342
10 O5a O 33.5594 -20.3343
11 N1b N 34.7615 -18.2219
12 C5a C 18.8442 -20.9900
13 C1c C 18.8442 -22.3903
14 C1c C 20.0605 -23.0938
15 C1a C 21.2699 -22.3903
16 N1b N 20.0605 -20.2934
17 C1c C 20.0684 -18.8967
18 C5a C 21.2785 -18.1826
19 O5a O 21.2716 -16.7824
20 N1c N 22.4888 -18.8792
21 C1c C 23.6989 -18.1755
22 C1c C 23.7620 -16.7753
23 C1a C 22.5448 -16.0716
24 C1b C 24.9723 -16.0647
25 O5a O 17.6339 -20.2934
26 N1c N 17.6339 -23.0867
27 C1a C 17.6270 -24.4869
28 C1a C 16.4167 -22.3832
29 C1a C 20.1172 -24.4940
30 C1c C 18.8512 -18.1897
31 C1a C 18.8442 -16.7894
32 C1a C 17.6410 -18.8792
33 C1a C 24.9652 -14.6646
34 C1c C 24.9092 -18.8721
35 O2a O 24.9023 -20.2722
36 C1a C 26.1125 -21.1858
37 C1b C 26.1194 -18.1686
38 C5a C 27.3226 -18.8652
39 O5a O 27.3157 -20.2652
40 N1y N 28.5312 -18.1569
41 C1y C 29.9429 -18.1365
42 C1x C 30.3563 -16.7972
43 C1x C 29.2073 -15.9910
44 C1x C 28.0873 -16.8369
45 C1c C 31.1353 -18.8647
46 O2a O 31.1663 -20.2641
47 C1c C 32.3623 -18.1980
48 C1a C 22.4819 -20.2863
49 C1a C 29.8639 -20.9338
50 C1a C 32.3276 -16.7982
51 C8y C 37.1885 -18.2017
52 N5x N 38.4614 -18.7638
53 C8x C 39.3932 -17.7197
54 C8x C 38.6836 -16.5115
55 S2x S 37.3158 -16.8173
BOND 57
1 3 4 2
2 4 5 1
3 5 6 2
4 6 7 1
5 38 39 2
6 14 15 1
7 38 40 1
8 13 26 1
9 18 19 2
10 26 27 1
11 16 12 1
12 40 41 1
13 41 42 1
14 42 43 1
15 43 44 1
16 44 40 1
17 26 28 1
18 41 45 1
19 18 20 1
20 45 46 1
21 14 29 1
22 45 47 1
23 47 9 1
24 17 30 1
25 20 21 1
26 30 31 1
27 12 13 1
28 30 32 1
29 21 22 1
30 24 33 1
31 17 16 1
32 21 34 1
33 22 23 1
34 34 35 1
35 13 14 1
36 35 36 1
37 22 24 1
38 34 37 1
39 17 18 1
40 37 38 1
41 12 25 2
42 20 48 1
43 7 8 2
44 46 49 1
45 8 3 1
46 47 50 1
47 11 1 1
48 1 51 1
49 52 53 1
50 1 2 1
51 2 3 1
52 9 10 2
53 9 11 1
54 51 52 2
55 53 54 2
56 54 55 1
57 55 51 1
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