ATOM 29
1 C8x C 35.3500 -20.9300
2 C8x C 35.3500 -19.5300
3 C8x C 34.0900 -18.8300
4 N4y N 32.9000 -19.5300
5 C8y C 32.9000 -20.9300
6 C8x C 34.0900 -21.6300
7 C8y C 31.7100 -18.8300
8 C8y C 30.4500 -19.5300
9 C8y C 30.4500 -20.9300
10 N5x N 31.7100 -21.6300
11 O5x O 31.7100 -17.3600
12 C1a C 29.2600 -21.5600
13 C1b C 29.2600 -18.8300
14 C1b C 28.0700 -19.4600
15 N1y N 26.8800 -18.8300
16 C1x C 26.8800 -17.3600
17 C1x C 25.6900 -16.6600
18 C1y C 24.5000 -17.3600
19 C1x C 24.5000 -18.8300
20 C1x C 25.6900 -19.5300
21 C5a C 23.2400 -16.6600
22 C8y C 22.0500 -17.3600
23 C8x C 22.0500 -18.8300
24 C8x C 20.7900 -16.6600
25 C8x C 19.6000 -17.3600
26 C8y C 19.6000 -18.8300
27 C8x C 20.7900 -19.5300
28 O5a O 23.2400 -15.2600
29 X F 18.4100 -19.4600
BOND 32
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 7 11 2
13 9 12 1
14 8 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 18 21 1
24 21 22 1
25 22 23 1
26 22 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 23 27 2
31 21 28 2
32 26 29 1
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