ATOM 20
1 C1y C 16.1600 -16.8620
2 C1y C 17.5594 -16.8620
3 C1y C 17.9793 -15.5325
4 O2x O 16.8597 -14.6929
5 C1y C 15.7402 -15.5325
6 O1a O 15.4603 -18.0515
7 O1a O 18.2591 -18.0515
8 N5x N 20.3582 -16.9319
9 C8y C 20.3582 -15.5325
10 N4y N 19.1687 -14.8328
11 C1b C 14.5507 -14.8328
12 C8y C 21.5477 -17.6316
13 N5x N 22.8072 -16.9319
14 C8y C 22.8072 -15.5325
15 C8y C 21.5477 -14.8328
16 N5x N 21.2678 -13.5034
17 C8x C 19.9384 -13.3635
18 N1a N 23.9267 -14.8328
19 X F 21.5477 -19.0310
20 O1a O 13.3332 -15.5226
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1 #Down
7 2 7 1 #Up
8 8 9 1
9 9 10 1
10 3 10 1 #Up
11 5 11 1 #Up
12 8 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 9 15 2
17 15 16 1
18 16 17 2
19 17 10 1
20 14 18 1
21 12 19 1
22 11 20 1
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