ATOM 31
1 C8y C 23.3100 -17.4300
2 C1b C 24.5700 -18.1300
3 C1c C 25.7600 -17.4300
4 C6a C 26.9500 -18.1300
5 O6a O 28.2100 -17.4300
6 O6a O 26.9500 -19.5300
7 N1d N 25.7600 -16.0300 #+
8 C1a C 27.0200 -15.3300
9 C1a C 24.5700 -15.4000
10 C1a C 25.7600 -14.7000
11 C8x C 23.1700 -16.1000
12 N4x N 21.8400 -15.7500
13 C8y C 21.1400 -17.0100
14 N5x N 22.0500 -18.0600
15 S4a S 19.7400 -17.1500
16 C1b C 18.9000 -15.9600
17 C1c C 17.5000 -16.1000
18 C6a C 16.6600 -14.9800
19 O3c O 19.1800 -18.4100
20 N1b N 16.6600 -17.4300
21 O6a O 15.2600 -15.1200
22 O6a O 17.2200 -13.7200
23 C6a C 10.2900 -18.2000
24 C1c C 11.5500 -17.5000
25 C1b C 12.7400 -18.2000
26 C1b C 14.0000 -17.5000
27 C5a C 15.1900 -18.2000
28 N1a N 11.5500 -16.1000
29 O6a O 9.1000 -17.5000
30 O6a O 10.2900 -19.6700
31 O5a O 15.1556 -19.5996
BOND 31
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
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 24 28 1 #Up
28 23 29 1
29 23 30 2
30 20 27 1
31 27 31 2
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