ATOM 60
1 C8y C 21.2039 -19.7260
2 C8y C 21.2039 -21.1298
3 C8x C 22.4197 -21.8317
4 C8y C 23.6354 -21.1298
5 C8y C 23.6354 -19.7260
6 C8y C 22.4197 -19.0241
7 C8x C 24.8511 -21.8317
8 C8y C 26.0667 -21.1298
9 C8y C 26.0667 -19.7260
10 C8y C 24.8511 -19.0241
11 O1a O 24.8511 -17.6204
12 N1a N 22.4197 -17.6206
13 N2b N 27.2676 -19.0327
14 N2b N 19.9882 -19.0241
15 N2b N 28.4591 -19.7205
16 N2b N 18.7896 -19.7164
17 C8y C 17.5989 -19.0290
18 C8x C 17.5988 -17.6206
19 C8x C 16.3831 -16.9188
20 C8y C 15.1675 -17.6208
21 C8x C 15.1676 -19.0292
22 C8x C 16.3834 -19.7310
23 C8y C 29.6530 -19.0309
24 C8x C 30.8460 -19.7196
25 C8x C 32.0616 -19.0177
26 C8y C 32.0615 -17.6139
27 C8x C 30.8687 -16.9252
28 C8x C 29.6530 -17.6272
29 S4a S 33.2905 -16.9041
30 S4a S 13.9516 -16.9190
31 O1d O 13.9516 -15.5151
32 O1d O 13.9516 -18.3227
33 O1d O 33.2905 -15.5004
34 O1d O 33.2905 -18.3079
35 C1b C 12.5707 -16.9190
36 C1b C 34.6801 -16.9042
37 C1b C 11.8690 -18.1343
38 C1b C 35.3881 -18.1307
39 O2a O 10.4652 -18.1342
40 O2a O 36.7858 -18.1307
41 S4a S 9.0614 -18.1342
42 S4a S 38.1896 -18.1307
43 O1d O 7.6577 -18.1342
44 O1d O 9.0614 -16.7305
45 O1d O 9.0614 -19.5380 #-
46 O1d O 39.5934 -18.1307
47 O1d O 38.1896 -16.7270
48 O1d O 38.1896 -19.5345 #-
49 S4a S 19.9882 -21.8317
50 S4a S 27.2676 -21.8232
51 O1d O 18.9955 -20.8390
52 O1d O 20.9809 -22.8242 #-
53 O1d O 18.7725 -22.5336
54 O1d O 28.4833 -21.1213
55 O1d O 26.1349 -22.6049 #-
56 O1d O 28.4833 -22.5251
57 Z Na 9.5671 -21.2942 #+
58 Z Na 20.5273 -24.4676 #+
59 Z Na 26.1512 -24.3270 #+
60 Z Na 38.1721 -21.0230 #+
BOND 59
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 10 11 1
13 6 12 1
14 9 13 1
15 1 14 1
16 13 15 2
17 14 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 15 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 23 28 2
32 26 29 1
33 20 30 1
34 30 31 2
35 30 32 2
36 29 33 2
37 29 34 2
38 30 35 1
39 29 36 1
40 35 37 1
41 36 38 1
42 37 39 1
43 38 40 1
44 39 41 1
45 40 42 1
46 41 43 2
47 41 44 2
48 41 45 1
49 42 46 2
50 42 47 2
51 42 48 1
52 2 49 1
53 8 50 1
54 49 51 2
55 49 52 1
56 49 53 2
57 50 54 2
58 50 55 1
59 50 56 2
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