ATOM 44
1 C8y C 18.0372 -21.7535
2 C1y C 16.9210 -22.4512
3 C8y C 18.0372 -20.4278
4 C8y C 19.2233 -22.4512
5 N1y N 15.7349 -21.7535
6 C1x C 16.9210 -23.7768
7 C8x C 19.2233 -19.7302
8 C1x C 16.8512 -19.7302
9 C8y C 20.4094 -21.7535
10 C1x C 15.7349 -20.4278
11 C8y C 15.7349 -24.8233
12 C8y C 20.4094 -20.4278
13 O1a O 21.5256 -22.4512
14 C8x C 14.6186 -24.1954
15 C8x C 15.7349 -26.1489
16 O2a O 21.5256 -19.7302
17 C8x C 13.4325 -24.8233
18 C8x C 14.6883 -26.8466
19 C1a C 22.6419 -20.4278
20 C8y C 13.4325 -26.1489
21 O2x O 13.4365 -27.2666
22 C1a C 14.6186 -22.4512
23 O2x O 19.2233 -23.7768
24 N1y N 20.6187 -29.2885
25 C1y C 19.4326 -28.5908
26 C1x C 20.6187 -30.7536
27 C8y C 18.2465 -29.2885
28 C1x C 21.5954 -27.6838
29 C1x C 19.4326 -31.3816
30 C8y C 18.2465 -30.6839
31 C8y C 17.0604 -28.6606
32 C8x C 20.3396 -26.2187
33 C8x C 17.0604 -31.3816
34 C8y C 15.8744 -29.2885
35 C8y C 21.5954 -26.9164
36 C8x C 20.3396 -24.8233
37 C8y C 15.8744 -30.6839
38 O1a O 14.6883 -28.5908
39 C8x C 22.7815 -26.2187
40 C8y C 21.5256 -24.1256
41 O2a O 14.6883 -31.3816
42 C8x C 22.7815 -24.7535
43 C1a C 13.4325 -30.7536
44 C1a C 21.8047 -28.5908
BOND 50
1 20 21 1
2 8 10 1
3 9 12 1
4 18 20 1
5 22 5 1
6 4 23 1
7 1 2 1
8 1 3 2
9 1 4 1
10 2 5 1
11 2 6 1
12 3 7 1
13 3 8 1
14 4 9 2
15 5 10 1
16 6 11 1
17 7 12 2
18 9 13 1
19 11 14 2
20 11 15 1
21 12 16 1
22 14 17 1
23 15 18 2
24 16 19 1
25 17 20 2
26 24 25 1
27 24 26 1
28 25 27 1
29 25 28 1
30 26 29 1
31 27 30 2
32 27 31 1
33 30 33 1
34 31 34 2
35 32 35 2
36 32 36 1
37 33 37 2
38 34 38 1
39 35 39 1
40 36 40 2
41 37 41 1
42 39 42 2
43 41 43 1
44 29 30 1
45 34 37 1
46 40 42 1
47 24 44 1
48 23 40 1
49 35 28 1
50 21 31 1
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