ATOM 29
1 C1x C 20.0900 -21.6300
2 C5x C 20.0900 -22.9600
3 C2x C 21.2800 -23.6600
4 C2y C 22.4700 -22.9600
5 C1z C 22.4700 -21.6300
6 C1x C 21.2800 -20.9300
7 C1x C 23.7300 -23.6600
8 C1x C 24.9200 -22.9600
9 C1y C 24.9200 -21.6300
10 C1z C 23.7300 -20.9300
11 C1y C 26.1800 -20.9300
12 C1z C 26.1800 -19.4600
13 C1x C 24.9200 -18.7600
14 C1y C 23.7300 -19.4600
15 O5x O 18.9000 -23.6600
16 C1a C 22.4700 -20.2300
17 O1a O 22.4700 -18.7600
18 C1a C 26.1800 -18.0600
19 X F 23.7300 -22.2600
20 C1x C 28.6049 -20.9300
21 C1x C 28.6049 -19.4600
22 C1z C 27.3924 -18.7600
23 C5a C 27.3924 -17.3602
24 C1a C 26.1632 -16.6503
25 O5a O 28.5880 -16.6698
26 O7a O 28.5879 -18.0696
27 C7a C 29.7753 -18.7551
28 C1a C 30.9665 -18.0671
29 O6a O 29.7755 -20.1598
BOND 32
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 2
18 5 16 1 #Up
19 14 17 1 #Up
20 12 18 1 #Up
21 10 19 1 #Down
22 11 20 1
23 20 21 1
24 21 22 1
25 12 22 1
26 22 23 1 #Up
27 23 24 1
28 23 25 2
29 22 26 1 #Down
30 26 27 1
31 27 28 1
32 27 29 2
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