ATOM 29
1 C1y C 19.1800 -17.7100
2 C1b C 20.3700 -18.3400
3 C1b C 21.5600 -17.7100
4 C1b C 22.7500 -18.3400
5 C1b C 23.9400 -17.7100
6 C5a C 25.1300 -18.4100
7 N1b N 26.3200 -17.7100
8 O5a O 25.1300 -19.7400
9 C1b C 27.5100 -18.3400
10 C1b C 28.7000 -17.7100
11 C1b C 29.8900 -18.3400
12 C1b C 31.0800 -17.6400
13 C1c C 32.2700 -18.3400
14 C5a C 33.4600 -17.6400
15 N1b N 32.2700 -19.7400
16 N1b N 34.6500 -18.3400
17 O5a O 33.4600 -16.3100
18 C5a C 33.5300 -20.4400
19 R R 33.5300 -21.8400
20 O5a O 34.7200 -19.7400
21 R R 35.9100 -17.6400
22 C1y C 18.7600 -16.3100
23 C1y C 17.3600 -16.3100
24 C1x C 16.8700 -17.6400
25 S2x S 17.9900 -18.4800
26 N1x N 19.1800 -14.9800
27 C5x C 18.0600 -14.1400
28 N1x N 16.9400 -14.9100
29 O5x O 18.0600 -12.6700
BOND 30
1 1 2 1 #Down
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 6 8 2
8 7 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 13 15 1 #Up
15 14 16 1
16 14 17 2
17 15 18 1
18 18 19 1
19 18 20 2
20 16 21 1
21 1 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 1 25 1
26 22 26 1
27 26 27 1
28 27 28 1
29 23 28 1
30 27 29 2
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