ATOM 27
1 C1y C 24.4300 -17.9900
2 C1y C 24.4300 -19.3900
3 O2x O 25.6200 -17.2900
4 C1b C 23.2400 -17.2900
5 C1y C 25.6200 -20.0900
6 C1y C 26.8800 -17.9900
7 O1a O 22.1200 -18.2000
8 C1y C 26.8800 -19.3900
9 O2a O 28.0700 -17.2900
10 O1a O 28.0700 -20.0900
11 R R 29.4700 -17.2900
12 O1a O 25.6200 -21.4900
13 C1y C 22.0500 -22.1200
14 C1y C 20.8600 -22.8200
15 C1y C 22.0500 -20.7900
16 N1b N 23.0300 -23.1700
17 C1y C 19.6700 -22.1200
18 O1a O 20.8600 -24.1500
19 O2x O 20.8600 -20.0900
20 C5a C 24.4300 -23.8700
21 C1y C 19.6700 -20.7900
22 O1a O 18.5500 -22.8200
23 C1a C 25.6900 -23.2400
24 O5a O 24.4300 -25.5500
25 C1b C 18.5500 -20.0900
26 O1a O 17.5000 -21.0000
27 O2a O 23.2653 -20.0949
BOND 28
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 5 8 1
8 6 9 1 #Up
9 8 10 1 #Up
10 6 8 1
11 9 11 1
12 5 12 1 #Up
13 13 14 1
14 13 15 1
15 13 16 1 #Down
16 14 17 1
17 14 18 1 #Up
18 15 19 1
19 16 20 1
20 17 21 1
21 17 22 1 #Down
22 20 23 1
23 20 24 2
24 21 25 1 #Up
25 25 26 1
26 19 21 1
27 15 27 1 #Up
28 2 27 1 #Down
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