ATOM 25
1 C1z C 29.4000 -17.5000
2 C8y C 29.4000 -16.1700
3 C1z C 30.5900 -18.2000
4 C1y C 28.2800 -18.1300
5 C1x C 30.5900 -16.8700
6 C8y C 28.2800 -15.5400
7 C8y C 30.5900 -15.5400
8 C1y C 31.7100 -17.5000
9 C1x C 30.5900 -19.4600
10 O2x O 27.0200 -16.8000
11 C5x C 28.2800 -19.4600
12 C1x C 32.8300 -16.8700
13 C8y C 28.2800 -14.2100
14 C1x C 31.7100 -16.2400
15 C8x C 30.5900 -14.2100
16 N1y N 32.8300 -18.2000
17 C1x C 29.4000 -20.1600
18 C8x C 29.4700 -13.5800
19 O1a O 27.2300 -13.5800
20 O1a O 31.8500 -19.1100
21 C1b C 34.2300 -18.2000
22 C1y C 34.9300 -19.3900
23 C1x C 34.9300 -20.7900
24 C1x C 36.1200 -20.0900
25 O5x O 27.0900 -20.1600
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 1
17 13 18 2
18 13 19 1
19 6 10 1
20 8 14 1
21 11 17 1
22 12 16 1
23 15 18 1
24 3 20 1 #Up
25 16 21 1
26 21 22 1
27 22 23 1
28 22 24 1
29 23 24 1
30 11 25 2
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