ATOM 28
1 C8y C 24.7042 -18.4756
2 O2a O 25.9638 -20.5750
3 C1y C 28.4132 -20.5750
4 C8y C 25.9638 -19.1754
5 C8y C 24.7042 -17.0760
6 C8x C 25.9638 -16.3762
7 N4y N 28.4132 -19.1754
8 C8y C 27.1535 -18.4756
9 C8y C 27.1535 -17.1459
10 C8y C 28.4132 -16.4461
11 C8y C 29.6029 -17.0760
12 C8x C 29.6029 -18.4756
13 C6a C 30.7925 -16.3762
14 O6a O 30.7925 -14.9765
15 O6a O 32.0522 -17.0760
16 O5x O 28.4132 -15.0465
17 X F 23.5145 -16.3762
18 C1x C 27.7134 -21.7647
19 C1x C 29.1130 -21.7647
20 N1y N 23.5145 -19.1754
21 C1x C 23.5145 -20.5750
22 C1x C 22.3248 -21.2748
23 C1x C 21.0652 -20.5750
24 C1y C 21.0652 -19.1754
25 C1x C 22.3248 -18.4756
26 N1b N 19.8755 -18.4756
27 C1a C 18.6858 -19.1754
28 C1a C 24.7042 -21.2748
BOND 31
1 1 5 1
2 5 6 2
3 6 9 1
4 2 4 1
5 7 3 1
6 7 8 1
7 8 9 2
8 9 10 1
9 10 11 1
10 11 12 2
11 12 7 1
12 11 13 1
13 13 14 2
14 13 15 1
15 10 16 2
16 8 4 1
17 5 17 1
18 4 1 2
19 18 19 1
20 19 3 1
21 18 3 1
22 1 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 24 26 1 #Up
30 26 27 1
31 2 28 1
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