ATOM 43
1 N1y N 28.4841 -19.8624
2 C5a C 27.2707 -19.1567
3 C1c C 26.0575 -19.8566
4 C1c C 24.8441 -19.1509
5 O1a O 26.0516 -21.2566
6 C1b C 24.8500 -17.7450
7 N1b N 23.6309 -19.8450
8 C8y C 26.0632 -17.0393
9 C5a C 22.4292 -19.1450
10 C8x C 27.2766 -16.3393
11 C8x C 24.8441 -16.3510
12 C1c C 21.2160 -19.8333
13 O5a O 22.4292 -17.7393
14 C8x C 27.2707 -14.9336
15 C8x C 24.8384 -14.9451
16 N1b N 20.0028 -19.1333
17 C1b C 21.2101 -21.2333
18 C8x C 26.0458 -14.2336
19 C7a C 18.7894 -19.8275
20 C5a C 22.4234 -21.9449
21 O7a O 17.5819 -19.1333
22 O6a O 18.7894 -21.2273
23 N1a N 22.4234 -23.3449
24 O5a O 23.6366 -21.2507
25 O5a O 27.2736 -17.7802
26 C1x C 28.6277 -21.2732
27 C1x C 30.0139 -21.5725
28 C1x C 30.7270 -20.3467
29 C1y C 29.7815 -19.2898
30 C5a C 30.0687 -17.9568
31 N1b N 31.4193 -17.5215
32 O5a O 29.0644 -17.0479
33 C1d C 32.4526 -18.4562
34 C1a C 33.4425 -17.4663
35 C1a C 31.4626 -19.4462
36 C1a C 33.4681 -19.4718
37 C1b C 16.3700 -19.8311
38 C8y C 15.1569 -19.1288
39 C8x C 15.1582 -17.7104
40 C8x C 13.9464 -17.0093
41 C8x C 12.7333 -17.7082
42 C8x C 12.7321 -19.1266
43 C8x C 13.9439 -19.8277
BOND 45
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1 #Up
5 4 6 1 #Up
6 4 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 8 11 2
11 9 12 1
12 9 13 2
13 10 14 2
14 11 15 1
15 12 16 1
16 12 17 1 #Down
17 14 18 1
18 16 19 1
19 17 20 1
20 19 21 1
21 19 22 2
22 20 23 1
23 20 24 2
24 15 18 2
25 2 25 2
26 1 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 1 29 1
31 29 30 1 #Down
32 30 31 1
33 30 32 2
34 31 33 1
35 33 34 1
36 33 35 1
37 33 36 1
38 21 37 1
39 37 38 1
40 38 39 2
41 39 40 1
42 40 41 2
43 41 42 1
44 42 43 2
45 38 43 1
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