ATOM 44
1 C1x C 23.0184 -25.0197
2 N1y N 23.0184 -26.3858
3 C1y C 24.2014 -27.0688
4 C8y C 25.3845 -26.3858
5 C8y C 25.3845 -25.0197
6 C1x C 24.2014 -24.3366
7 C8x C 26.5676 -27.0688
8 C8y C 27.7506 -26.3858
9 C8y C 27.7506 -25.0197
10 C8x C 26.5676 -24.3366
11 C1x C 24.2014 -28.3884
12 C8y C 25.5743 -29.4349
13 C8x C 24.3913 -30.1180
14 C8x C 24.3913 -31.4841
15 C8y C 25.5743 -32.1671
16 C8y C 26.7573 -31.4841
17 C8x C 26.7573 -30.1180
18 O1a O 25.5747 -33.5575
19 O2x O 27.9404 -32.1671
20 C8y C 29.1148 -31.4892
21 C8x C 30.2981 -32.1727
22 C8x C 31.4812 -31.4897
23 C8y C 31.4813 -30.1236
24 C8x C 30.2981 -29.4403
25 C8x C 29.1150 -30.1232
26 C1a C 21.8354 -27.0688
27 C1x C 32.9306 -29.7017
28 C1y C 33.5454 -28.5938
29 N1y N 34.9032 -28.5937
30 C1x C 35.5861 -27.4106
31 C1x C 34.9030 -26.2275
32 C8y C 33.5453 -26.2276
33 C8y C 32.8623 -27.4108
34 C8y C 32.8621 -25.0447
35 C8y C 31.4961 -25.0448
36 C8y C 30.8131 -26.2278
37 C8x C 31.4963 -27.4109
38 O2x O 29.2629 -27.2834
39 C1a C 35.2568 -29.9132
40 O1a O 30.8030 -23.8446
41 O2a O 33.5510 -23.8515
42 C1a C 34.9032 -23.8516
43 O2a O 28.9192 -24.3449
44 C1a C 28.2361 -23.1619
BOND 50
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 3 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 15 18 1
21 16 19 1
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 20 25 1
29 2 26 1
30 23 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 28 33 1
38 32 34 2
39 34 35 1
40 35 36 2
41 36 37 1
42 33 37 2
43 8 38 1
44 36 38 1
45 29 39 1
46 35 40 1
47 34 41 1
48 41 42 1
49 9 43 1
50 43 44 1
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