ATOM 28
1 C1y C 19.5300 -14.1400
2 O2x O 20.7900 -13.4400
3 C1y C 19.5300 -15.5400
4 C6a C 18.4800 -13.2300
5 C1y C 21.9800 -14.1400
6 C1y C 20.7900 -16.2400
7 O6a O 18.7600 -11.9000
8 O6a O 17.1500 -13.7200
9 C1y C 21.9800 -15.5400
10 O2a O 23.2400 -13.4400
11 O1a O 20.7900 -17.6400
12 O1a O 23.2400 -16.2400
13 C1y C 17.2200 -18.2700
14 C1y C 17.2200 -16.8700
15 C1y C 16.0300 -18.9000
16 N1b N 19.1100 -19.3200
17 O2x O 16.0300 -16.2400
18 C1y C 14.8400 -18.2700
19 O1a O 16.0300 -20.2300
20 C5a C 19.1100 -20.7200
21 C1y C 14.8400 -16.8700
22 O1a O 13.6500 -18.9000
23 C1a C 17.9900 -21.4200
24 O5a O 20.2300 -21.3500
25 C1b C 13.6500 -16.2400
26 O1a O 12.6700 -17.0800
27 O2a O 18.4194 -16.1479
28 R R 24.4407 -14.1599
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 9 12 1 #Down
12 6 9 1
13 13 14 1
14 13 15 1
15 13 16 1 #Down
16 14 17 1
17 15 18 1
18 15 19 1 #Up
19 16 20 1
20 17 21 1
21 18 22 1 #Down
22 20 23 1
23 20 24 2
24 21 25 1 #Up
25 25 26 1
26 18 21 1
27 14 27 1 #Down
28 3 27 1 #Down
29 10 28 1
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