ATOM 28
1 C8x C 35.7000 -17.7100
2 C8x C 35.7000 -16.3100
3 C8x C 34.4400 -15.6100
4 C8x C 34.4400 -18.4100
5 C8y C 33.2500 -17.7100
6 C8y C 33.2500 -16.3100
7 C1b C 31.9900 -15.6100
8 C7a C 31.9900 -18.4100
9 O7a O 30.8000 -17.7100
10 S4a S 30.8000 -16.3100
11 N1b N 29.6100 -15.6100
12 C1a C 29.5400 -18.5500
13 O5a O 28.3500 -17.4300
14 C5a C 28.3500 -16.3100
15 N1b N 27.1600 -15.5400
16 N5x N 25.9700 -17.6400
17 C8y C 25.9700 -16.2400
18 N5x N 24.7800 -15.5400
19 C8y C 23.5200 -16.2400
20 C8x C 23.5200 -17.6400
21 C8y C 24.7100 -18.3400
22 O6a O 31.9900 -19.8100
23 O2a O 22.3300 -15.5400
24 C1a C 21.0700 -16.2400
25 O2a O 24.7100 -19.7400
26 C1a C 23.4500 -20.4400
27 O3c O 32.0600 -17.0100
28 O3c O 29.6100 -17.0100
BOND 29
1 5 6 1
2 13 14 2
3 14 15 1
4 15 17 1
5 6 7 1
6 7 10 1
7 9 8 1
8 8 5 1
9 5 4 2
10 4 1 1
11 16 17 1
12 17 18 2
13 18 19 1
14 19 20 2
15 20 21 1
16 21 16 2
17 8 22 2
18 1 2 2
19 19 23 1
20 10 11 1
21 23 24 1
22 11 14 1
23 21 25 1
24 12 9 1
25 25 26 1
26 2 3 1
27 10 27 2
28 3 6 2
29 10 28 2
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