ATOM 30
1 C1y C 19.4116 -16.1632
2 N1y N 19.4116 -17.5682
3 C2y C 20.6761 -18.2708
4 C2y C 21.8706 -17.5682
5 C1x C 21.8706 -16.1632
6 S2x S 20.6761 -15.4605
7 C1y C 18.0767 -16.1632
8 C5x C 18.0767 -17.5682
9 N1b N 16.8120 -15.4605
10 C5a C 15.6176 -16.1632
11 O5a O 15.6176 -17.5682
12 O5x O 16.8120 -18.2708
13 C2c C 14.4233 -15.4605
14 C1b C 23.0649 -18.2708
15 C8y C 13.2289 -16.1632
16 O7a O 24.2593 -17.5682
17 C7a C 25.5239 -18.2708
18 C8x C 12.0344 -15.3902
19 S2x S 10.9103 -16.2333
20 C8y C 11.4021 -17.5682
21 N5x N 12.8074 -17.4980
22 N1a N 26.7182 -17.5682
23 O6a O 25.5239 -19.6057
24 C2b C 14.4233 -14.0553
25 N1a N 10.5590 -18.6923
26 C1b C 15.6176 -13.3527
27 C1a C 15.6176 -11.9475
28 C6a C 20.6929 -19.6550
29 O6a O 21.9381 -20.3544
30 O6a O 19.5061 -20.3595
BOND 32
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 2 8 1
10 7 9 1 #Up
11 9 10 1
12 10 11 2
13 8 12 2
14 10 13 1
15 4 14 1
16 13 15 1
17 14 16 1
18 16 17 1
19 15 18 2
20 18 19 1
21 19 20 1
22 20 21 2
23 15 21 1
24 17 22 1
25 17 23 2
26 13 24 2
27 20 25 1
28 24 26 1
29 26 27 1
30 3 28 1
31 28 29 1
32 28 30 2
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