ATOM 26
1 C1a C 16.0448 -16.5789
2 S2a S 17.2508 -15.8807
3 C1b C 18.4638 -16.5718
4 C1b C 19.6769 -15.8736
5 C1c C 20.8897 -16.5647
6 C5a C 22.1028 -15.8665
7 N1b N 23.3158 -16.5577
8 C1c C 24.5287 -15.8595
9 C5a C 25.7418 -16.5506
10 N1b N 26.9477 -15.8524
11 C1c C 28.1608 -16.5435
12 C5a C 29.3736 -15.8453
13 N1b N 30.5867 -16.5366
14 C1c C 31.7997 -15.8384
15 N1b N 20.8928 -17.9681
16 C4a C 19.6780 -18.6759
17 O4a O 19.6811 -20.0794
18 O5a O 22.0997 -14.4632
19 O5a O 25.7448 -17.9541
20 O5a O 29.3706 -14.4420
21 C6a C 33.0126 -16.5366
22 O6a O 33.0109 -17.9399
23 O6a O 34.2299 -15.8397
24 R R 24.5257 -14.4561
25 R R 31.7997 -14.4349
26 R R 28.1638 -17.9470
BOND 25
1 6 7 1
2 13 14 1
3 3 4 1
4 5 15 1
5 7 8 1
6 15 16 1
7 16 17 2
8 8 9 1
9 6 18 2
10 4 5 1
11 9 19 2
12 9 10 1
13 12 20 2
14 2 3 1
15 14 21 1
16 10 11 1
17 21 22 2
18 5 6 1
19 21 23 1
20 11 12 1
21 8 24 1 #Up
22 1 2 1
23 14 25 1 #Up
24 12 13 1
25 11 26 1 #Down
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