ATOM 36
1 C1y C 11.2700 -12.8100
2 C1y C 12.6700 -12.8100
3 C1y C 13.0900 -11.4800
4 O2x O 11.9700 -10.6400
5 C1y C 10.8500 -11.4800
6 R R 14.4200 -11.0600
7 C1b C 9.5200 -11.0600
8 O1a O 13.7900 -13.2300
9 O2b O 11.2700 -15.5400
10 P1b P 12.6700 -15.5400
11 O1c O 12.6700 -14.1400
12 O1c O 12.6700 -16.9400
13 O1a O 8.4700 -11.9700
14 O2b O 14.0700 -15.5400
15 C1y C 16.8700 -16.3800
16 C1y C 18.2700 -16.3800
17 C1y C 18.6900 -15.0500
18 O2x O 17.5700 -14.2100
19 C1y C 16.4500 -15.0500
20 R R 20.0200 -14.6300
21 C1b C 15.1200 -14.6300
22 O1a O 19.3900 -16.8000
23 O2b O 16.8700 -18.6200
24 P1b P 18.2700 -18.6200
25 O2b O 19.6700 -18.6200
26 O1c O 18.2700 -17.2200
27 O1c O 18.2700 -20.0200
28 C1b C 20.8600 -17.9200
29 C1y C 22.6100 -19.9500
30 C1y C 24.0100 -19.9500
31 C1y C 24.4300 -18.6200
32 O2x O 23.3100 -17.7800
33 C1y C 22.1900 -18.6200
34 R R 25.7600 -18.2000
35 O1a O 21.7824 -21.0792
36 O1a O 24.8376 -21.0792
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 1 #Up
7 5 7 1 #Up
8 2 8 1 #Down
9 1 9 1 #Down
10 9 10 1
11 10 11 2
12 10 12 1
13 7 13 1
14 10 14 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 15 19 1
20 17 20 1 #Up
21 19 21 1 #Up
22 16 22 1 #Down
23 14 21 1
24 15 23 1 #Down
25 23 24 1
26 24 25 1
27 24 26 2
28 24 27 1
29 25 28 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 29 33 1
35 31 34 1 #Up
36 33 28 1 #Up
37 29 35 1 #Down
38 30 36 1 #Down
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