ATOM 30
1 C1z C 27.3759 -18.2799
2 N1y N 26.5752 -19.4280
3 C5x C 28.7758 -18.2603
4 C1x C 26.5412 -17.1634
5 S2a S 28.1754 -17.1332
6 C1y C 25.1698 -19.0104
7 C5x C 27.1710 -20.6917
8 N1y N 29.3674 -19.6703
9 O5x O 29.5708 -17.2505
10 C1y C 25.2224 -17.6137
11 C1a C 27.5757 -15.8647
12 C1y C 24.0434 -19.7316
13 C1z C 28.5598 -20.7484
14 O5x O 26.3610 -21.8332
15 C1y C 30.7060 -20.0830
16 C5x C 24.0002 -16.9395
17 C2x C 22.8211 -19.0504
18 O1a O 23.9065 -21.1266
19 C1x C 29.4093 -21.9334
20 S2a S 27.7529 -21.9550
21 C1y C 30.7318 -21.4785
22 C1y C 31.9012 -19.3537
23 C2x C 22.7988 -17.6503
24 O5x O 24.0371 -15.5373
25 C1a C 28.3442 -23.2250
26 C5x C 31.9540 -22.1526
27 C2x C 33.1268 -20.0302
28 O1a O 31.9443 -17.9632
29 C2x C 33.0838 -21.4336
30 O5x O 31.8912 -23.5508
BOND 34
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 7 14 2
14 8 15 1
15 10 16 1
16 12 17 1
17 12 18 1 #Down
18 13 19 1
19 13 20 1 #Up
20 15 21 1
21 15 22 1
22 16 23 1
23 16 24 2
24 20 25 1
25 21 26 1
26 22 27 1
27 22 28 1 #Down
28 26 29 1
29 26 30 2
30 6 10 1
31 8 13 1
32 17 23 2
33 19 21 1
34 27 29 2
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