ATOM 29
1 C1x C 22.4000 -15.7500
2 N1y N 22.4000 -17.1500
3 C1x C 21.2100 -17.8500
4 C1x C 19.9500 -17.1500
5 C1y C 19.9500 -15.7500
6 C1x C 21.2100 -15.0500
7 C5a C 23.5900 -17.8500
8 O5a O 24.7800 -17.1500
9 N1b N 23.5900 -19.2500
10 C8y C 24.7800 -19.9500
11 N5x N 26.0400 -19.3900
12 O2x O 26.9500 -20.3700
13 C8x C 26.3200 -21.5600
14 C8x C 24.9200 -21.2800
15 C1d C 18.7600 -15.0500
16 S4a S 17.5700 -15.7500
17 C8y C 16.3800 -15.0500
18 C8x C 15.1200 -15.6100
19 N4y N 14.2100 -14.5600
20 N5x N 14.8400 -13.3700
21 C8y C 16.2400 -13.6500
22 C1c C 17.2900 -12.7400
23 X F 18.6200 -13.1600
24 X F 17.0100 -11.3400
25 C1a C 12.8100 -14.7000
26 O3c O 18.3400 -16.9400
27 O3c O 16.8000 -17.0100
28 X F 19.9500 -14.3500
29 C1a C 18.0600 -13.8600
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 2
9 7 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 13 14 2
15 10 14 1
16 5 15 1
17 15 16 1
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 1
22 20 21 2
23 17 21 1
24 21 22 1
25 22 23 1
26 22 24 1
27 19 25 1
28 16 26 2
29 16 27 2
30 15 28 1 #Up
31 15 29 1 #Down
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