ATOM 39
1 C1y C 29.5400 -20.6500
2 C1y C 29.9600 -21.9100
3 C1y C 31.3600 -21.9100
4 C1y C 31.7800 -20.5800
5 O2x O 30.6600 -19.7400
6 O2x O 29.1900 -23.1000
7 C1y C 25.4100 -15.8200
8 C1y C 25.8300 -17.0800
9 C1y C 27.2300 -17.0800
10 C1y C 27.6500 -15.7500
11 O2x O 26.5300 -14.9100
12 R R 28.9800 -15.2600
13 O2x O 25.0600 -18.2700
14 P1b P 25.0600 -19.6700
15 O1c O 23.6600 -19.6700
16 O1c O 25.0600 -21.0700
17 C1y C 21.0000 -10.9200
18 C1y C 21.4200 -12.1800
19 C1y C 22.8200 -12.1800
20 C1y C 23.2400 -10.8500
21 O2x O 22.1200 -10.0100
22 R R 24.5700 -10.3600
23 O2x O 20.6500 -13.3700
24 P1b P 20.6500 -14.7700
25 O1c O 19.2500 -14.7700
26 O1c O 20.6500 -16.1700
27 O2x O 22.0500 -14.7700
28 C1x C 24.2900 -14.7700
29 O2x O 26.4600 -19.6700
30 C1x C 28.1400 -19.6700
31 R R 33.1100 -20.1600
32 O1a O 23.6600 -13.3000
33 O1a O 28.0700 -18.2000
34 O1a O 32.2000 -23.0300
35 C1x C 19.7876 -10.2200
36 O2x O 18.5751 -10.9200
37 P1b P 18.5751 -23.1000
38 O1c O 18.5751 -24.5000
39 O1c O 17.1751 -23.1000
BOND 42
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Down
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 7 11 1
12 10 12 1 #Up
13 8 13 1 #Down
14 13 14 1
15 14 15 1
16 14 16 2
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 17 21 1
22 20 22 1 #Up
23 18 23 1 #Down
24 23 24 1
25 24 25 2
26 24 26 1
27 24 27 1
28 27 28 1
29 7 28 1 #Up
30 14 29 1
31 29 30 1
32 1 30 1 #Up
33 4 31 1 #Up
34 19 32 1 #Down
35 9 33 1 #Down
36 3 34 1 #Down
37 17 35 1 #Up
38 35 36 1
39 36 37 1
40 6 37 1
41 37 38 2
42 37 39 1
BRACKET 1 23.6600 -15.6100 23.6600 -14.0000
1 26.8800 -18.9000 26.8800 -20.5100
1 n
ORIGINAL 1 7 8 9 10 11 12 13 14 15 16 28 29 33
REPEAT 1
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