ATOM 42
1 C8y C 20.5800 -15.8900
2 C8y C 20.5800 -17.2900
3 C8y C 21.7924 -17.9900
4 C8x C 23.0049 -17.2900
5 C8x C 23.0049 -15.8900
6 C8y C 21.7924 -15.1900
7 C5x C 19.3676 -15.1900
8 C8y C 18.1551 -15.8900
9 C8y C 18.1551 -17.2900
10 C5x C 19.3676 -17.9900
11 C8x C 16.9427 -15.1900
12 C8x C 15.7303 -15.8900
13 C8x C 15.7303 -17.2900
14 C8x C 16.9427 -17.9900
15 O5x O 19.3676 -13.7902
16 O5x O 19.3676 -19.3898
17 N1b N 21.7924 -13.7902
18 C8y C 22.9880 -13.0998
19 N1b N 21.7924 -19.3898
20 C8y C 22.9880 -20.0802
21 C8x C 24.1752 -13.7852
22 C8x C 25.3876 -13.0853
23 C8y C 25.3877 -11.6853
24 C8x C 24.2005 -10.9998
25 C8y C 22.9881 -11.6998
26 C8y C 22.9881 -21.4897
27 C8x C 24.2006 -22.1896
28 C8y C 25.4130 -21.4895
29 C8x C 25.4129 -20.0800
30 C8x C 24.2004 -19.3801
31 S4a S 21.7547 -22.2022
32 S4a S 21.7504 -10.9851
33 C1a C 26.6146 -10.9767
34 C1a C 26.6234 -22.1883
35 O1d O 20.5423 -22.9022 #-
36 O1d O 20.5380 -10.2851 #-
37 O1d O 22.4547 -23.4147
38 O1d O 21.0547 -20.9898
39 O1d O 22.4504 -9.7726
40 O1d O 21.0504 -12.1975
41 Z Na 17.7800 -22.8900 #+
42 Z Na 17.2900 -10.4300 #+
BOND 44
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 1 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 2 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 7 15 2
18 10 16 2
19 6 17 1
20 17 18 1
21 3 19 1
22 19 20 1
23 18 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 18 25 1
29 20 26 2
30 26 27 1
31 27 28 2
32 28 29 1
33 29 30 2
34 20 30 1
35 26 31 1
36 25 32 1
37 23 33 1
38 28 34 1
39 31 35 1
40 32 36 1
41 31 37 2
42 31 38 2
43 32 39 2
44 32 40 2
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