ATOM 35
1 C1y C 38.4300 -29.4000
2 C1x C 38.4300 -30.8000
3 C1x C 39.6200 -31.5000
4 C1x C 40.8800 -30.8000
5 C1x C 40.8800 -29.4000
6 C1x C 39.6200 -28.7000
7 C2b C 37.2400 -28.7000
8 C2b C 36.0500 -29.4000
9 C2b C 36.0500 -30.8000
10 C2b C 34.8600 -31.5000
11 C1c C 33.6700 -30.8000
12 C1b C 32.4800 -31.5000
13 C1c C 31.2200 -30.8000
14 C1d C 30.0300 -31.5000
15 C2b C 28.8400 -30.8000
16 C2b C 27.5800 -31.5000
17 C1y C 26.3900 -30.8000
18 O1a O 33.6700 -29.4000
19 O2b O 31.2200 -29.4000
20 C1y C 26.3900 -29.4000
21 C2x C 25.2000 -28.7000
22 C2x C 23.9400 -29.4000
23 C7x C 23.9400 -30.8000
24 O7x O 25.2000 -31.5000
25 O6a O 22.7500 -31.5000
26 C1b C 27.5800 -28.7000
27 C1a C 27.5800 -27.3000
28 C1b C 29.0500 -32.4800
29 O1a O 31.0100 -32.4800
30 C1b C 29.4000 -33.8100
31 N1a N 28.4200 -34.7900
32 P1b P 31.2200 -28.0000
33 O1c O 31.2200 -26.6000
34 O1c O 32.6200 -28.0000
35 O1c O 29.8200 -28.0000
BOND 36
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 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 2
17 17 16 1 #Down
18 11 18 1 #Up
19 13 19 1 #Down
20 17 20 1
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 1
25 17 24 1
26 23 25 2
27 20 26 1 #Down
28 26 27 1
29 14 28 1 #Up
30 14 29 1 #Down
31 28 30 1
32 30 31 1
33 19 32 1
34 32 33 2
35 32 34 1
36 32 35 1
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