ATOM 25
1 C8x C 27.4375 -16.7525
2 C8y C 27.4375 -18.1522
3 C8y C 28.6496 -18.8520
4 C8x C 29.8618 -18.1522
5 C8x C 29.8618 -16.7525
6 C8x C 28.6496 -16.0527
7 C1y C 28.6496 -20.2517
8 C2y C 27.4382 -20.9512
9 C2y C 27.4382 -22.3508
10 N1x N 28.6503 -23.0507
11 C2y C 29.8618 -22.3512
12 C2y C 29.8618 -20.9515
13 N2b N 31.0753 -20.2510 #+
14 O3a O 32.2888 -20.9515
15 O3a O 31.0753 -18.8520 #-
16 C1a C 31.0753 -23.0519
17 C1a C 26.2253 -23.0511
18 C7a C 26.2256 -20.2512
19 O7a O 25.0123 -20.9516
20 O6a O 26.2256 -19.1320
21 C1a C 23.7994 -20.2514
22 C1d C 26.2244 -17.4524
23 X F 26.9243 -16.2393
24 X F 25.4546 -18.6655
25 X F 25.0113 -16.7525
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 3 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 1
12 11 12 2
13 7 12 1
14 12 13 1
15 13 14 2
16 13 15 1
17 11 16 1
18 9 17 1
19 8 18 1
20 18 19 1
21 18 20 2
22 19 21 1
23 2 22 1
24 22 23 1
25 22 24 1
26 22 25 1
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