ATOM 22
1 C8y C 24.4301 -25.0601
2 C1b C 25.6425 -25.7601
3 C1c C 26.8550 -25.0601
4 C6a C 28.0675 -25.7601
5 O6a O 29.2799 -25.0601
6 O6a O 28.0675 -27.1601
7 N1d N 26.8550 -23.6603 #+
8 C1a C 28.0863 -22.9493
9 C1a C 25.6614 -22.9711
10 C1a C 26.8550 -22.2603
11 C8x C 24.2838 -23.6678
12 N4x N 22.9143 -23.3767
13 C8y C 22.2143 -24.5891
14 N5x N 23.1511 -25.6295
15 S4a S 20.8001 -24.7381
16 C1b C 19.9600 -23.5826
17 C1c C 18.5571 -23.7305
18 C6a C 17.7312 -22.5944
19 O3c O 20.2396 -25.9973
20 N1a N 17.9871 -25.0118
21 O6a O 16.3164 -22.7433
22 O6a O 18.2908 -21.3362
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 2
6 3 7 1 #Down
7 7 8 1
8 7 9 1
9 7 10 1
10 1 11 2
11 11 12 1
12 12 13 1
13 13 14 2
14 1 14 1
15 13 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 15 19 2
20 17 20 1 #Down
21 18 21 1
22 18 22 2
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