ATOM 29
1 C8y C 41.7776 -19.3090
2 C8y C 41.7776 -20.7132
3 C8x C 40.5137 -18.6068
4 C1d C 42.9712 -18.6068
5 C8x C 40.5137 -21.4154
6 C3b C 42.9712 -21.4154
7 C8y C 39.3201 -19.3090
8 X F 44.1648 -17.9047
9 X F 42.2691 -17.4132
10 X F 43.6733 -19.8005
11 C8x C 39.3201 -20.7132
12 N3a N 44.1648 -22.1175
13 N1b N 38.1265 -18.6068
14 C5a C 36.9328 -19.3090
15 C1d C 35.6690 -18.6068
16 O5a O 36.9328 -20.7132
17 C1b C 34.4753 -19.3090
18 C1a C 35.6690 -17.2026
19 S4a S 33.2817 -18.6068
20 C8y C 32.0179 -19.3090
21 O3c O 32.2987 -17.6238
22 O3c O 34.1945 -17.5536
23 O1a O 35.6690 -20.0111
24 C8x C 32.0179 -20.7132
25 C8x C 30.8242 -21.4154
26 C8y C 29.6306 -20.7132
27 C8x C 29.6306 -19.3090
28 C8x C 30.8242 -18.6068
29 X F 28.3668 -21.4154
BOND 30
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 6 12 3
12 7 13 1
13 13 14 1
14 14 15 1
15 14 16 2
16 15 17 1
17 15 18 1 #Down
18 17 19 1
19 19 20 1
20 19 21 2
21 19 22 2
22 7 11 2
23 15 23 1 #Up
24 20 24 2
25 24 25 1
26 25 26 2
27 26 27 1
28 27 28 2
29 20 28 1
30 26 29 1
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