ATOM 54
1 C8x C 16.3100 -22.6100
2 C8y C 16.3100 -24.0100
3 C8x C 17.5224 -24.7100
4 C8x C 18.7349 -24.0100
5 C8y C 18.7349 -22.6100
6 C8x C 17.5224 -21.9100
7 C2c C 19.9724 -21.9100
8 C8y C 21.1849 -22.6100
9 C8x C 21.1849 -24.0098
10 C8x C 22.3973 -24.7098
11 C8y C 23.6097 -24.0098
12 C8x C 23.6097 -22.6100
13 C8y C 22.3973 -21.9100
14 C2y C 19.9724 -20.5100
15 N1c N 15.0976 -24.7100
16 C1b C 13.9021 -24.0196
17 C8y C 12.7147 -24.7051
18 C8x C 11.5235 -24.0171
19 C8x C 10.3110 -24.7169
20 C8x C 10.3108 -26.1169
21 C8y C 11.5020 -26.8049
22 C8x C 12.7145 -26.1051
23 S4a S 11.5020 -28.2049
24 O1d O 11.5020 -29.6049 #-
25 O1d O 12.8800 -28.2050
26 O1d O 10.0800 -28.2048
27 C1b C 15.0975 -26.1098
28 O1a O 24.8074 -24.7014
29 C2x C 21.1679 -19.8196
30 C2x C 21.1678 -18.4196
31 C2y C 19.9553 -17.7197
32 C2x C 18.7598 -18.4101
33 C2x C 18.7599 -19.8101
34 N2b N 19.9553 -16.3197 #+
35 C1b C 21.1679 -15.6196
36 C1b C 18.7347 -15.6151
37 C1a C 17.5435 -16.3030
38 C8y C 22.3552 -16.3052
39 C8x C 22.3552 -17.7098
40 C8x C 23.5676 -18.4098
41 C8x C 24.7800 -17.7098
42 C8y C 24.7801 -16.3053
43 C8x C 23.5676 -15.6052
44 S4a S 25.9904 -15.6065
45 O1d O 27.2029 -14.9065 #-
46 O1d O 26.6866 -16.8127
47 O1d O 25.2870 -14.3879
48 S4a S 22.3973 -20.6500
49 O1d O 22.3973 -19.2500
50 O1d O 21.2773 -20.6500
51 O1d O 23.7973 -20.6500
52 C1a C 16.3268 -26.8197
53 Z Na 28.9100 -15.0500 #+
54 Z Na 11.1300 -31.0100 #+
BOND 56
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 7 14 2
16 2 15 1
17 15 16 1
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 21 23 1
26 23 24 1
27 23 25 2
28 23 26 2
29 15 27 1
30 11 28 1
31 14 29 1
32 29 30 2
33 30 31 1
34 31 32 1
35 32 33 2
36 14 33 1
37 31 34 2
38 34 35 1
39 34 36 1
40 36 37 1
41 35 38 1
42 38 39 2
43 39 40 1
44 40 41 2
45 41 42 1
46 42 43 2
47 38 43 1
48 42 44 1
49 44 45 1
50 44 46 2
51 44 47 2
52 13 48 1
53 48 49 1
54 48 50 2
55 48 51 2
56 27 52 1
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