ATOM 44
1 C8x C 25.0087 -20.4622
2 C8y C 25.0087 -21.8590
3 C8x C 26.1960 -22.5573
4 C8x C 26.1960 -19.7639
5 C8y C 27.4530 -20.4622
6 C8y C 27.4530 -21.8590
7 N4y N 28.6403 -22.6272
8 C8x C 28.6403 -19.7639
9 C8y C 29.8275 -20.5321
10 C8y C 29.8275 -21.9288
11 N5x N 31.0146 -22.6272
12 C8y C 32.3415 -21.9288
13 N4x N 32.2717 -20.5321
14 C8y C 31.0844 -19.8337
15 O1a O 23.8214 -22.5573
16 O5x O 31.0844 -18.4370
17 O5x O 33.4589 -22.6272
18 C1b C 28.5704 -23.9541
19 C1c C 29.8275 -24.6525
20 C1c C 29.8275 -26.0493
21 C1c C 31.0146 -26.7476
22 C1b C 31.0146 -28.1444
23 O2b O 32.2018 -28.8428
24 O1a O 31.0146 -23.9541
25 O1a O 32.2717 -26.0493
26 O1a O 28.5704 -26.7476
27 P1b P 33.5986 -28.8428
28 O2b O 34.9953 -28.8428
29 O1c O 33.5986 -27.4460
30 O1c O 33.5986 -30.2395
31 C1c C 36.2524 -28.1444
32 C5a C 37.4396 -28.8428
33 N1b N 38.6268 -28.1444
34 C1c C 39.8839 -28.8428
35 C1b C 41.0711 -28.1444
36 C1b C 42.3282 -28.8428
37 C6a C 43.5154 -28.1444
38 C1a C 36.2524 -26.7476
39 O5a O 37.4396 -30.2395
40 O6a O 43.5154 -26.7476
41 C6a C 39.8839 -30.2395
42 O6a O 38.6268 -31.0076
43 O6a O 41.0711 -30.9378
44 O6a O 44.7279 -28.8379
BOND 46
1 9 10 1
2 10 11 2
3 11 12 1
4 12 13 1
5 13 14 1
6 14 9 1
7 5 6 2
8 2 15 1
9 6 7 1
10 14 16 2
11 7 10 1
12 12 17 2
13 9 8 2
14 8 5 1
15 5 4 1
16 4 1 2
17 1 2 1
18 2 3 2
19 3 6 1
20 7 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 19 24 1 #Down
27 21 25 1 #Down
28 20 26 1 #Up
29 23 27 1
30 27 28 1
31 27 29 2
32 27 30 1
33 28 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 31 38 1 #Up
41 32 39 2
42 37 40 2
43 34 41 1 #Up
44 41 42 2
45 41 43 1
46 37 44 1
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