ATOM 53
1 C2x C 20.5549 -19.4600
2 C2y C 20.5549 -18.0600
3 C2c C 21.7924 -17.3600
4 C8y C 23.0049 -18.0600
5 C8x C 23.0049 -19.4598
6 C8x C 24.2173 -20.1598
7 C8y C 25.4297 -19.4598
8 C8x C 25.4297 -18.0600
9 C8x C 24.2173 -17.3600
10 C8y C 21.7924 -15.9600
11 C2x C 19.3425 -17.3600
12 C2x C 18.1300 -18.0600
13 C2y C 18.1300 -19.4600
14 C2x C 19.3425 -20.1600
15 C8x C 22.9879 -15.2696
16 C8x C 22.9878 -13.8696
17 C8y C 21.7753 -13.1697
18 C8x C 20.5797 -13.8601
19 C8x C 20.5799 -15.2601
20 S4a S 21.7752 -11.7600
21 O1d O 21.7752 -10.3600 #-
22 O1d O 20.3700 -11.7600
23 O1d O 23.1700 -11.7600
24 N2b N 16.9176 -20.1600 #+
25 C1b C 15.7051 -19.4600
26 C8y C 14.4927 -20.1600
27 C1b C 16.9176 -21.5598
28 C1a C 18.1468 -22.2697
29 N1c N 26.6224 -20.1600
30 C1b C 27.8349 -19.4600
31 C8y C 29.0473 -20.1600
32 C1b C 26.6174 -21.5599
33 C1a C 25.3893 -22.2631
34 C8x C 13.2782 -19.4588
35 C8y C 12.0658 -20.1588
36 C8x C 12.0658 -21.5588
37 C8x C 13.2803 -22.2600
38 C8x C 14.4927 -21.5600
39 C8x C 29.0473 -21.5600
40 C8x C 30.2597 -22.2600
41 C8x C 31.4722 -21.5600
42 C8y C 31.4722 -20.1600
43 C8x C 30.2597 -19.4600
44 S4a S 10.8347 -19.4478
45 O1d O 9.6223 -18.7478 #-
46 O1d O 11.5333 -18.2381
47 O1d O 10.1332 -20.6626
48 S4a S 32.6846 -19.4600
49 O1d O 33.8971 -18.7600
50 O1d O 31.9860 -18.2499
51 O1d O 33.3860 -20.6748
52 Z Na 7.1400 -18.5500 #+
53 Z Na 21.3500 -8.1900 #+
BOND 55
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 4 9 1
10 3 10 1
11 2 11 1
12 11 12 2
13 12 13 1
14 13 14 1
15 14 1 2
16 10 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 10 19 1
22 17 20 1
23 20 21 1
24 20 22 2
25 20 23 2
26 13 24 2
27 24 25 1
28 25 26 1
29 24 27 1
30 27 28 1
31 7 29 1
32 29 30 1
33 30 31 1
34 29 32 1
35 32 33 1
36 26 34 2
37 34 35 1
38 35 36 2
39 36 37 1
40 37 38 2
41 26 38 1
42 31 39 2
43 39 40 1
44 40 41 2
45 41 42 1
46 42 43 2
47 31 43 1
48 35 44 1
49 44 45 1
50 44 46 2
51 44 47 2
52 42 48 1
53 48 49 1
54 48 50 2
55 48 51 2
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